SCHEMBL10274940

SCHEMBL10274940

O=C(Nc1cn2nc(Cn3nnc4ccc(-c5cnn(CCCO)c5)cc43)ccc2n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
CSNK1D P48730 4/20 0.38
CSNK1E P49674 4/20 0.38
CDK9 P50750 7/20 0.37
KDR P35968 2/20 0.37
WNT1 P04628 3/20 0.36
GSK3B P49841 3/20 0.36
DYRK1A Q13627 3/20 0.36
ABL1 P00519 1/20 0.36
JAK1 P23458 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL2747669 0.95 CSNK1D (0.39) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL5955411 0.90 GSK3B (0.41) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL253785 0.89 GSK3B (0.47) CSNK1DCSNK1EKDRWNT1GSK3B
SCHEMBL2745972 0.88 CDK9 (0.36) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL2745977 0.88 CDK9 (0.36) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL2746459 0.88 CDK9 (0.36) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL5955085 0.87 CCNC (0.39) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL5955082 0.87 CDK9 (0.39) CSNK1DCSNK1ECDK9KDRWNT1
SCHEMBL5955181 0.85 KDR (0.39) PIK3CACSNK1DCSNK1ECDK9KDR
SCHEMBL2746330 0.84 CSNK1D (0.45) CSNK1DCSNK1ECDK9KDRRIPK1

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-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed