SCHEMBL14320155

SCHEMBL14320155

CCn1cnc(Nc2nc(N3CCCC3C(=O)NC3CCCNC3)nn3cccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.70
ACVR1 Q04771 5/20 0.52
CCNE2 O96020 5/20 0.50
CCNE1 P24864 5/20 0.50
CDK2 P24941 5/20 0.50

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
SCHEMBL12337586 1.00 IGF1R (0.70) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337769 0.91 IGF1R (0.72) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL13696264 0.91 IGF1R (0.71) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12338128 0.91 IGF1R (0.71) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL13865570 0.91 IGF1R (0.71) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL13865558 0.89 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12923420 0.89 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337959 0.89 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL14320142 0.85 ACVR1 (0.61) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12314365 0.85 ACVR1 (0.61) IGF1RACVR1CCNE2CCNE1CDK2

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