SCHEMBL6963727

SCHEMBL6963727

Cc1cc(N2CCc3ccccc3C2C)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
BLM P54132 1/20 0.40
TP53 P04637 1/20 0.40
SLC2A1 P11166 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
IGF1R P08069 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36

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
Hydrochloric Acid SCHEMBL6992610 0.99 MAPT (0.39) MAPTMAPK1MEN1KMT2ABLM
SCHEMBL6998561 0.87 BLM (0.38) MAPTMAPK1MEN1KMT2ABLM
SCHEMBL6991589 0.87 GALR2 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6994764 0.86 GALR2 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6990611 0.86 KCNH3 (0.38) MAPTMAPK1MEN1KMT2ABLM
SCHEMBL6989353 0.85 BLM (0.36) MAPTMAPK1MEN1KMT2ABLM
Hydrochloric Acid SCHEMBL6994782 0.84 KCNH3 (0.37) MAPTMAPK1MEN1KMT2ABLM
Hydrochloric Acid SCHEMBL6997300 0.82 KMT2A (0.40) MAPTMEN1KMT2ATP53SLC2A1
SCHEMBL8805400 0.82 POLB (0.51) MAPTMAPK1TP53KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL8567380 0.81 POLB (0.50) MAPTMAPK1TP53KDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP claimed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed