SCHEMBL5540142

SCHEMBL5540142

COc1cc2c(nc1OC)c(-c1cc3c(C(NC4CCC(NC(=O)OC(C)(C)C)CC4)S(=O)(=O)c4ccc(C)cc4)ccnc3[nH]1)cn2C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.36
CDK9 P50750 10/20 0.36
IGF1R P08069 1/20 0.34
CFTR P13569 3/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
KDM4D Q6B0I6 1/20 0.32
RET P07949 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
SCHEMBL2991596 0.93 IGF1R (0.36) CCNT1CDK9IGF1R
SCHEMBL2990420 0.92 IGF1R (0.40) CCNT1CDK9IGF1RJAK2
SCHEMBL2987049 0.92 CCNT1 (0.43) CCNT1CDK9IGF1R
SCHEMBL2993805 0.91 CCNT1 (0.39) CCNT1CDK9IGF1R
SCHEMBL2996531 0.88 IGF1R (0.38) CCNT1CDK9IGF1R
SCHEMBL5532021 0.86 CCNT1 (0.39) CCNT1CDK9IGF1RCFTRSUV39H2
SCHEMBL2991814 0.85 CCNT1 (0.42) CCNT1CDK9SUV39H2
SCHEMBL2984633 0.83 IGF1R (0.38) CCNT1CDK9IGF1RJAK2
SCHEMBL1748812 0.82 IGF1R (0.49) CCNT1CDK9IGF1RJAK2
SCHEMBL2994861 0.81 IGF1R (0.39) CCNT1CDK9IGF1RJAK2

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