SCHEMBL15870511

SCHEMBL15870511

OC[C@H](Nc1cncc(-c2ccc(O)cc2F)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.53
▸ CDK8 P49336 2/20 0.53
▸ FGFR1 P11362 10/20 0.42
▸ FGFR2 P21802 10/20 0.42
▸ FGFR3 P22607 10/20 0.42
▸ EGFR P00533 5/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ INSR P06213 3/20 0.42
▸ RET P07949 3/20 0.42
▸ SRC P12931 3/20 0.42
▸ FGFR4 P22455 3/20 0.42
▸ LTK P29376 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ MERTK Q12866 3/20 0.42
▸ ERBB4 Q15303 3/20 0.42
▸ ALK Q9UM73 3/20 0.42
▸ ERBB2 P04626 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ MET P08581 1/20 0.42
▸ ROS1 P08922 1/20 0.42

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
SCHEMBL15870514 0.84 CCNC (0.51) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870510 0.83 CCNC (0.53) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870507 0.82 CCNC (0.57) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870558 0.81 CCNC (0.62) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870505 0.81 CCNC (0.62) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870552 0.80 CCNC (0.64) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870492 0.80 CCNC (0.59) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15870504 0.79 TRPV3 (0.40) FGFR1FGFR2
SCHEMBL15870536 0.78 CCNC (0.48) CCNCCDK8FGFR1FGFR2FGFR3
SCHEMBL15870568 0.77 CCNC (0.61) CCNCCDK8FGFR1FGFR2FGFR3

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
WO-2014106606-A1 NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-07-10 — — WO disclosed
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