SCHEMBL7475792

SCHEMBL7475792

COc1cc2c(cc1OC)C(=CCCNc1ccc(CN(Cc3ccccc3)Cc3ccccc3)cc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.48
TLK2 Q86UE8 3/20 0.43
BRD4 O60885 2/20 0.42
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
BACE1 P56817 1/20 0.39
NTRK1 P04629 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL7474781 0.84 RET (0.50) RETTLK2BRD4
SCHEMBL7475213 0.82 RET (0.43) RETTLK2BRD4NTRK1
SCHEMBL7480965 0.82 RET (0.45) RETTLK2BRD4NTRK1
SCHEMBL6340156 0.81 RET (0.48) RETTLK2BRD4ACHEBCHE
SCHEMBL7472918 0.80 RET (0.54) RETTLK2BRD4
SCHEMBL7473364 0.79 RET (0.47) RETTLK2BRD4
SCHEMBL7480182 0.79 RET (0.45) RETTLK2BRD4NTRK1
SCHEMBL7473409 0.79 TLK2 (0.44) RETTLK2BRD4NTRK1
SCHEMBL7474878 0.78 ACHE (0.42) RETTLK2ACHE
SCHEMBL7476920 0.77 RET (0.45) RETTLK2BRD4NTRK1

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