SCHEMBL5538745

SCHEMBL5538745

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCC(NC(=O)OC(C)(C)C)CC4)ccnc3[nH]1)cn2C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 9/20 0.38
CCNT1 O60563 8/20 0.38
CDK9 P50750 8/20 0.38
IGF1R P08069 1/20 0.37
CFTR P13569 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL2993969 0.91 IGF1R (0.39) CCNT1CDK9IGF1R
SCHEMBL2986604 0.90 IGF1R (0.44) SUV39H2CCNT1CDK9IGF1R
SCHEMBL2982715 0.90 CCNT1 (0.42) SUV39H2CCNT1CDK9
SCHEMBL2990025 0.88 CCNT1 (0.45) CCNT1CDK9IGF1R
SCHEMBL5535776 0.86 IGF1R (0.41) CCNT1CDK9IGF1R
SCHEMBL2987134 0.86 CDK9 (0.39) CCNT1CDK9IGF1R
Hydrochloric Acid SCHEMBL2984613 0.85 IGF1R (0.41) CCNT1CDK9IGF1R
SCHEMBL2995039 0.85 IGF1R (0.42) CCNT1CDK9IGF1R
SCHEMBL5533445 0.85 IGF1R (0.42) CCNT1CDK9IGF1R
SCHEMBL5529651 0.85 CCNT1 (0.43) SUV39H2CCNT1CDK9IGF1R

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