SCHEMBL2321602

SCHEMBL2321602

CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.71
CCNE2 O96020 4/20 0.71
CCNE1 P24864 4/20 0.71
CDK2 P24941 4/20 0.71
PLK4 O00444 1/20 0.71
AURKA O14965 1/20 0.71
DCLK1 O15075 1/20 0.71
MUSK O15146 1/20 0.71
NUAK1 O60285 1/20 0.71
JAK2 O60674 1/20 0.71
ABL1 P00519 1/20 0.71
NTRK1 P04629 1/20 0.71
INSR P06213 1/20 0.71
LCK P06239 1/20 0.71
FES P07332 1/20 0.71
CSF1R P07333 1/20 0.71
RET P07949 1/20 0.71
ABCB1 P08183 1/20 0.71
MET P08581 1/20 0.71
CYP3A4 P08684 1/20 0.71

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
SCHEMBL1270176 1.00 IGF1R (0.71) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269694 0.93 IGF1R (0.61) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1270060 0.92 IGF1R (0.60) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL15810124 0.92 IGF1R (0.60) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1270098 0.92 IGF1R (0.61) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL15810092 0.91 IGF1R (0.72) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269905 0.91 IGF1R (0.58) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL15810192 0.91 IGF1R (0.58) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL15810198 0.90 IGF1R (0.58) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL15809926 0.90 IGF1R (0.58) IGF1RCCNE2CCNE1CDK2PLK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP claimed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO claimed
EP-2531507-A1 CRYSTALLINE FORMS OF (S)-1-(4-(5-CYCLOPROPYL-1H-PYRAZOL-3- YLAMINO)PYRROLO [1,2-F][1,2,4]TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN- 3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE Bristol-Myers Squibb Company (US) 2012-12-12 EP disclosed
WO-2011097331-A1 CRYSTALLINE FORMS OF (S)-1-(4-(5-CYCLOPROPYL-1H-PYRAZOL-3- YLAMINO)PYRROLO [1,2-F] [1,2,4] TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN- 3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-11 WO disclosed
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed