SCHEMBL6607800

SCHEMBL6607800

COc1cnc(C(C#N)=Cc2ccnc(C(=O)O)c2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
IGF1R P08069 2/20 0.46
IGF2R P11717 2/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
PDE4B Q07343 8/20 0.44
PDE4A P27815 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6607790 1.00 EGFR (0.46) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6609089 0.92 MAPT (0.46) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6609083 0.92 MAPT (0.46) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6611396 0.88 MAPT (0.46) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6611390 0.88 MAPT (0.46) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6611309 0.86 EGFR (0.45) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6611313 0.86 EGFR (0.45) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6607238 0.85 PDE4A (0.40) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6607249 0.85 PDE4A (0.40) EGFRIGF1RIGF2RMAPTMEN1
SCHEMBL6606002 0.81 MAPT (0.41) EGFRIGF1RIGF2RMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed