SCHEMBL5535776

SCHEMBL5535776

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCC(N)CC4)ccnc3[nH]1)cn2C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.41
CCNT1 O60563 17/20 0.35
CDK9 P50750 17/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
Hydrochloric Acid SCHEMBL2984613 0.99 IGF1R (0.41) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2986604 0.96 IGF1R (0.44) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL5533445 0.91 IGF1R (0.42) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2995039 0.91 IGF1R (0.42) IGF1RCCNT1CDK9JAK2LCK
Hydrochloric Acid SCHEMBL2989485 0.91 IGF1R (0.41) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL5532887 0.90 IGF1R (0.43) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2993969 0.89 IGF1R (0.39) IGF1RCCNT1CDK9MCHR1
Hydrochloric Acid SCHEMBL2985657 0.89 IGF1R (0.42) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2987134 0.87 CDK9 (0.39) IGF1RCCNT1CDK9
SCHEMBL5538745 0.86 SUV39H2 (0.38) IGF1RCCNT1CDK9

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
EP-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 WO disclosed