SCHEMBL8575324

SCHEMBL8575324

COc1cc(O)c2c(=O)c(-c3cccc(Cl)c3)cn(C(C)=O)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.75
ABL1 P00519 1/20 0.44
ABL2 P42684 1/20 0.44
SRC P12931 1/20 0.44
MAOA P21397 3/20 0.38
NPC1 O15118 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH2 P05091 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 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
SCHEMBL8572854 0.89 EGFR (0.58) EGFRABL1ABL2SRCMEN1
SCHEMBL8576451 0.86 EGFR (1.00) EGFRABL1ABL2SRCMAOA
SCHEMBL8577298 0.83 EGFR (0.78) EGFRABL1ABL2SRCNPC1
SCHEMBL8572765 0.83 EGFR (0.75) EGFRABL1ABL2SRCMAOA
SCHEMBL8575444 0.82 EGFR (0.84) EGFRABL1ABL2SRCNPC1
SCHEMBL8576546 0.82 EGFR (0.82) EGFRABL1ABL2SRCNPC1
SCHEMBL8577489 0.82 EGFR (0.70) EGFRABL1ABL2SRCNPC1
SCHEMBL8601752 0.82 EGFR (1.00) EGFRABL1ABL2SRCMAPT
SCHEMBL8579701 0.81 EGFR (0.79) EGFRABL1ABL2SRCNPC1
SCHEMBL8579536 0.80 EGFR (0.67) EGFRABL1ABL2SRCNPC1

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-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO claimed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed