SCHEMBL7476749

SCHEMBL7476749

COc1cc2c(cc1OC)C(=CCCNc1ccc(CCN3CCC(C(=O)O)CC3)cc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.42
PAK1 Q13153 4/20 0.40
HTR2A P28223 2/20 0.39
GRM2 Q14416 2/20 0.39
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL7474878 0.88 ACHE (0.42) RETPAK1
SCHEMBL6338898 0.84 RET (0.42) RETPAK1HTR2AGRM2ABCB1
SCHEMBL7474781 0.80 RET (0.50) RET
SCHEMBL6338906 0.79 ABCB1 (0.41) RETHTR2AGRM2ABCB1ABCG2
SCHEMBL6338894 0.79 ABCB1 (0.41) RETHTR2AGRM2ABCB1ABCG2
SCHEMBL5787693 0.78 ABCB1 (0.47) RETHTR2AABCB1ABCG2
SCHEMBL5787695 0.78 ABCB1 (0.47) RETHTR2AABCB1ABCG2
SCHEMBL7475213 0.78 RET (0.43) RET
SCHEMBL7472918 0.76 RET (0.54) RETPAK1
SCHEMBL6333058 0.76 PAK1 (0.39) RETPAK1HTR2AGRM2

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