SCHEMBL11967751

SCHEMBL11967751

CC(=O)NC1CCCN(c2nc(Nc3cc(C4CC4)n[nH]3)nc(N3C[C@H](F)C[C@H]3C(=O)Nc3cnccn3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.41
SYK P43405 3/20 0.38
BTK Q06187 1/20 0.35
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
GSK3B P49841 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK3 Q00526 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNE2 O96020 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
CDK4 P11802 1/20 0.32

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
SCHEMBL3000429 1.00 IGF1R (0.41) IGF1RSYKBTKCCNT1CDK9
SCHEMBL11967763 0.94 IGF1R (0.41) IGF1RSYKBTKCCNE1CDK2
SCHEMBL11967781 0.94 IGF1R (0.41) IGF1RSYKCCNE1CDK2GSK3B
SCHEMBL3008647 0.94 IGF1R (0.41) IGF1RSYKCCNE1CDK2GSK3B
SCHEMBL11967764 0.94 IGF1R (0.41) IGF1RSYKBTKCCNE1CDK2
SCHEMBL13207731 0.94 IGF1R (0.41) IGF1RSYKBTKCCNE1CDK2
SCHEMBL13207732 0.91 IGF1R (0.40) IGF1RSYKBTKCCNE1CDK2
SCHEMBL11967762 0.90 IGF1R (0.41) IGF1RSYK
SCHEMBL11967765 0.90 IGF1R (0.41) IGF1RSYK
SCHEMBL3010086 0.88 IGF1R (0.41) IGF1RCCNE1CDK2GSK3BCCNE2

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
US-8415340-B2 Triazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
EP-2175933-B1 TRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-22 EP disclosed