SCHEMBL2330503

SCHEMBL2330503

COc1cc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cc(OC)c1OC.Clc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1.FC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.53
▸ PRKCA P17252 3/20 0.51
▸ ABL1 P00519 3/20 0.49
▸ BCR P11274 3/20 0.49
▸ KDR P35968 3/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ CCNA1 P78396 1/20 0.44

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
SCHEMBL2323561 0.97 IGF1R (0.56) IGF1RPRKCAABL1BCRKDR
SCHEMBL2329464 0.88 PRKCA (0.62) IGF1RPRKCAABL1BCRKDR
SCHEMBL2322576 0.81 EPHB4 (0.59) IGF1RPRKCAKDRCDK2CDK1
SCHEMBL2323589 0.80 CTSC (0.53) IGF1RPRKCAABL1BCRKDR
SCHEMBL2327107 0.79 FGFR2 (0.56) IGF1RKDRCDK2CCNB2CDK1
SCHEMBL2330310 0.78 CDK1 (0.47) PRKCAABL1BCRKDRCDK2
SCHEMBL2321693 0.78 CDK1 (0.65) IGF1RPRKCAABL1BCRKDR
SCHEMBL8837813 0.76 ABL1 (0.72) IGF1RPRKCAABL1BCRCDK2
SCHEMBL8837807 0.75 PRKCA (0.79) PRKCAABL1BCRCDK2CCNB2
SCHEMBL2325853 0.73 CDK1 (0.50) KDRCDK2CCNB2CDK1CDK4

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
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 — — EP claimed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 — — WO claimed
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