SCHEMBL6997622

SCHEMBL6997622

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 1/20 0.45
CHRM3 P20309 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 6/20 0.43
MAPK1 P28482 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40

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 SCHEMBL6997347 0.99 KDM4E (0.45) MEN1KMT2ABLMCHRM3PDE4A
SCHEMBL6990874 0.87 MEN1 (0.42) MEN1KMT2ABLMCHRM3PDE4A
Hydrochloric Acid SCHEMBL6993414 0.86 KDM4E (0.42) MEN1KMT2ABLMCHRM3PDE4A
SCHEMBL6996918 0.85 AXL (0.42) KMT2ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6990621 0.84 AXL (0.41) KMT2ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6966987 0.84 KCNH3 (0.42) MEN1KMT2ABLMCHRM3PDE4A
SCHEMBL7821547 0.82 LMNA (0.65) MEN1KMT2ABLMKDM4EMAPK1
SCHEMBL6991702 0.81 CHRM3 (0.46) MEN1KMT2ACHRM3PDE4APDE4B
Hydrochloric Acid SCHEMBL8117259 0.81 KCNH3 (0.38) MEN1KMT2ABLMKDM4EMAPK1
Hydrochloric Acid SCHEMBL8111169 0.81 KCNH3 (0.38) MEN1KMT2ABLMKDM4EMAPK1

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 1 patent. 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