SCHEMBL4973175

SCHEMBL4973175

CCCNC1CCCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BPTF Q12830 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5768036 0.94 KCNH2 (0.53) KCNH2GNAI3GNAO1GNAI1RAD52
SCHEMBL27419894 0.94 KCNH2 (0.53) KCNH2GNAI3GNAO1GNAI1RAD52
Hydrochloric Acid SCHEMBL28253889 0.92 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1RAD52
SCHEMBL4979028 0.86
SCHEMBL5761715 0.86
SCHEMBL18711243 0.86
SCHEMBL18236742 0.84 KCNH2 (0.73) KCNH2GNAI3GNAO1GNAI1RAD52
SCHEMBL5784976 0.84 KCNH2 (0.73) KCNH2GNAI3GNAO1GNAI1RAD52
SCHEMBL18236734 0.84 KCNH2 (0.73) KCNH2GNAI3GNAO1GNAI1RAD52
SCHEMBL6669807 0.83 GNAI3 (0.51) KCNH2GNAI3GNAO1GNAI1RAD52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
WO-2004108710-A1 4-PYRIMIDINYL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004108703-A1 PYRAZINYL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO disclosed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP disclosed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed