SCHEMBL7474878

SCHEMBL7474878

COc1cc2c(cc1OC)C(=CCCNc1ccc(CCN3CCCCC3)cc1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
PAK1 Q13153 2/20 0.40
RET P07949 4/20 0.40
CHEK1 O14757 2/20 0.40
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TLK2 Q86UE8 1/20 0.38

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
SCHEMBL7476749 0.88 RET (0.42) PAK1RET
SCHEMBL7475213 0.82 RET (0.43) RETCHEK1TLK2
SCHEMBL6340191 0.82 ACHE (0.42) ACHEPAK1RETCHEK1MAPK1
SCHEMBL7474781 0.79 RET (0.50) RETTLK2
SCHEMBL7480965 0.79 RET (0.45) RETTLK2
SCHEMBL7475792 0.78 RET (0.48) ACHERETTLK2
SCHEMBL7472918 0.77 RET (0.54) PAK1RETTLK2
SCHEMBL7473364 0.76 RET (0.47) PAK1RETCHEK1TLK2
SCHEMBL7473409 0.76 TLK2 (0.44) RETCHEK1TLK2
SCHEMBL6340195 0.76 ACHE (0.42) ACHECHEK1HRH3

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