SCHEMBL15870580

SCHEMBL15870580

OC[C@H](Nc1cncc(-c2cccc(Cl)c2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.61
▸ CDK8 P49336 2/20 0.61
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ EGFR P00533 3/20 0.46
▸ FGFR1 P11362 3/20 0.46
▸ FGFR2 P21802 3/20 0.46
▸ FGFR3 P22607 3/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ ERBB2 P04626 2/20 0.46
▸ INSR P06213 2/20 0.46
▸ RET P07949 2/20 0.46
▸ ROS1 P08922 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ FGFR4 P22455 2/20 0.46
▸ LTK P29376 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ MERTK Q12866 2/20 0.46
▸ ERBB4 Q15303 2/20 0.46

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
SCHEMBL15870508 0.88 CCNC (0.64) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15870558 0.86 CCNC (0.62) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15870512 0.85 CCNC (0.61) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15870532 0.85 CCNC (0.63) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15864598 0.83 CCNC (0.66) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15870510 0.83 CCNC (0.53) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15864390 0.82 CCNC (0.58) CCNCCDK8EGFRFGFR2KDR
SCHEMBL15864387 0.82 CCNC (0.58) CCNCCDK8EGFRFGFR2KDR
SCHEMBL15870552 0.80 CCNC (0.64) CCNCCDK8EGFRFGFR1FGFR2
SCHEMBL15870515 0.80 CCNC (0.64) CCNCCDK8EGFRFGFR1FGFR2

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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