SCHEMBL17604497

SCHEMBL17604497

C[CH]c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.49
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
MAP2K1 Q02750 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
HPGD P15428 4/20 0.37
S1PR2 O95136 1/20 0.35

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
SCHEMBL22199092 0.84 IDH1 (0.51) IDH1FGFR1FGFR2FGFR3MAP2K1
SCHEMBL17604498 0.83 IDH1 (0.53) IDH1FGFR1FGFR2FGFR3
SCHEMBL21549749 0.81 IDH1 (0.60) IDH1TRPV1
SCHEMBL22199087 0.80 IDH1 (0.47) IDH1FGFR1FGFR2FGFR3MAP2K1
SCHEMBL18744770 0.80 IDH1 (0.50) IDH1FGFR1FGFR2FGFR3MAP2K1
SCHEMBL22199102 0.80 IDH1 (0.47) IDH1FGFR1FGFR2FGFR3MAP2K1
SCHEMBL17601152 0.79 IDH1 (0.58) IDH1FGFR1FGFR2FGFR3TRPV1
SCHEMBL20003991 0.79 IDH1 (0.47) IDH1FGFR1FGFR2FGFR3MAP2K1
SCHEMBL30065246 0.79 IDH1 (0.58) IDH1FGFR1FGFR2FGFR3TRPV1
SCHEMBL17601153 0.79 IDH1 (0.58) IDH1FGFR1FGFR2FGFR3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016171756-A1 QUINOLINONE FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-27 WO claimed
EP-3194375-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS Forma Therapeutics, Inc. (US) 2017-07-26 EP disclosed
WO-2016171756-A1 QUINOLINONE FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-27 WO disclosed
WO-2016044782-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed