SCHEMBL8001367

SCHEMBL8001367

COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1-c1ccccc1.COc1ccc(C=O)cc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.64
DHFR P00374 1/20 0.60
NPC1 O15118 2/20 0.55
CSNK1D P48730 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
CSNK1A1 P48729 2/20 0.55
CSNK1E P49674 2/20 0.55
GMNN O75496 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 2/20 0.55
THPO P40225 2/20 0.55
RAB9A P51151 2/20 0.55

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
SCHEMBL8001370 1.00 ERBB2 (0.64) ERBB2DHFRNPC1CSNK1DALDH1A1
SCHEMBL6396491 0.95 ERBB2 (0.69) ERBB2DHFRNPC1CSNK1DALDH1A1
SCHEMBL6408143 0.95 ERBB2 (0.69) ERBB2DHFRNPC1CSNK1DALDH1A1
SCHEMBL8002167 0.89 ERBB2 (0.64) ERBB2MDM2FLT3EGFR
SCHEMBL8002301 0.89 CCNE1 (0.54) ERBB2DHFRCCNE1CDK2MDM2
SCHEMBL8002300 0.89 CCNE1 (0.54) ERBB2DHFRCCNE1CDK2MDM2
SCHEMBL8002163 0.89 ERBB2 (0.64) ERBB2MDM2FLT3EGFR
SCHEMBL6404623 0.83 ERBB2 (0.69) ERBB2MDM2FLT3EGFR
SCHEMBL6404622 0.83 ERBB2 (0.69) ERBB2MDM2FLT3EGFR
SCHEMBL6390048 0.83 CCNE1 (0.58) ERBB2DHFRCCNE1CDK2MDM2

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
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed