SCHEMBL7468285

SCHEMBL7468285

COc1cc2c(cc1OC)C(=CCCNc1ccc(-c3nnn[nH]3)cc1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
RET P07949 6/20 0.41
TLK2 Q86UE8 3/20 0.39
NTRK1 P04629 2/20 0.37
NTRK3 Q16288 1/20 0.37
GSK3B P49841 2/20 0.35
NOX4 Q9NPH5 1/20 0.34
PAK1 Q13153 1/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCNE2 O96020 1/20 0.34
CHEK1 O14757 1/20 0.33

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
SCHEMBL7473409 0.84 TLK2 (0.44) BRD4RETTLK2NTRK1NTRK3
SCHEMBL6337672 0.80 RET (0.41) BRD4RETTLK2GSK3BNOX4
SCHEMBL7480182 0.80 RET (0.45) BRD4RETTLK2NTRK1CHEK1
SCHEMBL7472918 0.79 RET (0.54) BRD4RETTLK2NTRK3GSK3B
SCHEMBL479649 0.77 RXFP1 (0.36) RETGSK3B
SCHEMBL479654 0.77 RXFP1 (0.36) RETGSK3B
SCHEMBL7474781 0.77 RET (0.50) BRD4RETTLK2GSK3BNOX4
SCHEMBL7480965 0.76 RET (0.45) BRD4RETTLK2NTRK1NTRK3
SCHEMBL7475213 0.76 RET (0.43) BRD4RETTLK2NTRK1NTRK3
SCHEMBL7473364 0.76 RET (0.47) BRD4RETTLK2GSK3BNOX4

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-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed