SCHEMBL5767256

SCHEMBL5767256

COc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CN)cc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
FGFR1 P11362 6/20 0.46
IRAK4 Q9NWZ3 3/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP17A1 P05093 1/20 0.40
HPGD P15428 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5767404 0.90 FGFR1 (0.42) KDRFGFR1IRAK4PDGFRBPDGFRA
SCHEMBL5767156 0.88 KDR (0.46) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5766162 0.88 KDR (0.46) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5766687 0.86 KDR (0.44) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5767252 0.84 FGFR1 (0.46) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5763180 0.84 IRAK4 (0.48) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5768204 0.82 FGFR1 (0.56) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5767694 0.79 MAPT (0.42) KDRFGFR1ALDH1A1MAPTHPGD
SCHEMBL5766182 0.79 FGFR1 (0.43) KDRFGFR1IRAK4ALDH1A1MAPT
SCHEMBL5767448 0.79 FGFR1 (0.45) KDRFGFR1CDK2

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-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed