SCHEMBL4770076

SCHEMBL4770076

COc1ccc(C(Cc2cnc(Nc3ccccc3)nc2Cl)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
CNR2 P34972 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 1/20 0.42
NTRK2 Q16620 1/20 0.42
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CCKAR P32238 3/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL4769944 0.93 MAPK9 (0.44) MAPK9MAPK10CNR2CYP1A2CYP3A4
SCHEMBL4774864 0.89 CHEK1 (0.50) MAPK9MAPK10CNR2CYP1A2CYP3A4
SCHEMBL4775312 0.84 GAA (0.43) MAPK9MAPK10ALDH1A1MEN1KMT2A
SCHEMBL4765275 0.84 CHEK1 (0.43) MAPK9MAPK10CNR2CYP1A2CYP3A4
SCHEMBL4764854 0.82 CCKAR (0.45) CYP1A2TSHRCCKAR
SCHEMBL4771624 0.82 CHEK1 (0.46) MAPK9MAPK10CHEK1NTRK2HDAC1
SCHEMBL4764815 0.82 CHEK1 (0.49) MAPK9MAPK10CNR2CHEK1NTRK2
SCHEMBL4765277 0.81 SYK (0.44) MAPK9MAPK10CHEK1NTRK2MAOA
SCHEMBL4766694 0.80 SYK (0.50) MAPK9CHEK1NTRK2HDAC1CDK4
SCHEMBL4767407 0.77 CHEK1 (0.43) MAPK9MAPK10CNR2CYP1A2CYP3A4

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-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed