SCHEMBL14313629

SCHEMBL14313629

O=C(NC1CCCNC1)C1CCCN1c1nc(Nc2cc[nH]n2)c2cccn2n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.77
CCNE2 O96020 7/20 0.55
CCNE1 P24864 7/20 0.55
CDK2 P24941 7/20 0.55

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
SCHEMBL12337549 1.00 IGF1R (0.77) IGF1RCCNE2CCNE1CDK2
SCHEMBL12337914 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12895801 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL13865500 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12922827 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12895800 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12895805 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12337548 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL12337552 0.87 IGF1R (1.00) IGF1RCCNE2CCNE1CDK2
SCHEMBL15827441 0.86 IGF1R (0.79) IGF1RCCNE2CCNE1CDK2

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-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed