SCHEMBL5533445

SCHEMBL5533445

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCNCC4)ccnc3[nH]1)cn2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
CCNT1 O60563 18/20 0.39
CDK9 P50750 18/20 0.39
GSK3B P49841 2/20 0.35
CDK7 P50613 2/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
GSK3A P49840 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35

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 SCHEMBL2989485 0.99 IGF1R (0.41) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL2986604 0.95 IGF1R (0.44) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL2995039 0.92 IGF1R (0.42) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL5532887 0.92 IGF1R (0.43) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL5535776 0.91 IGF1R (0.41) IGF1RCCNT1CDK9GSK3BCDK7
Hydrochloric Acid SCHEMBL2985657 0.91 IGF1R (0.42) IGF1RCCNT1CDK9GSK3BCDK7
Hydrochloric Acid SCHEMBL2984613 0.91 IGF1R (0.41) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL2993969 0.88 IGF1R (0.39) IGF1RCCNT1CDK9CASP3CASP7
Hydrochloric Acid SCHEMBL2990404 0.88 IGF1R (0.40) IGF1RCCNT1CDK9GSK3BCDK7
SCHEMBL2987134 0.88 CDK9 (0.39) 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