SCHEMBL7706674

SCHEMBL7706674

Cc1cc(=O)[nH]n1-c1ccc(N/C=C2/C(=O)Nc3cc(-c4ccco4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
TDP2 O95551 2/20 0.36
CSF1R P07333 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 1/20 0.32
RPS6KA3 P51812 2/20 0.31
CHEK1 O14757 3/20 0.31
ALOX5 P09917 1/20 0.31
KIT P10721 2/20 0.30
FLT4 P35916 2/20 0.30
KDR P35968 2/20 0.30
FLT3 P36888 2/20 0.30
AURKB Q96GD4 1/20 0.30
SRD5A1 P18405 1/20 0.30
EP300 Q09472 2/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL7706676 1.00 RET (0.39) RETTDP2CSF1RALDH1A1MAPT
SCHEMBL5432281 0.86 MAOA (0.42) RETCSF1RPIM1RPS6KA3CHEK1
SCHEMBL5432283 0.86 MAOA (0.42) RETCSF1RPIM1RPS6KA3CHEK1
SCHEMBL5873761 0.83 RET (0.33) RETTDP2
SCHEMBL5873770 0.83 RET (0.33) RETTDP2
SCHEMBL5183175 0.82 MAOA (0.38) RETCSF1RMAPTPIM1RPS6KA3
SCHEMBL5183182 0.82 MAOA (0.38) RETCSF1RMAPTPIM1RPS6KA3
SCHEMBL5182966 0.81 PIM1 (0.40) RETALDH1A1MAPTPIM1KIT
SCHEMBL5182964 0.81 PIM1 (0.40) RETALDH1A1MAPTPIM1KIT
SCHEMBL7703527 0.81 RET (0.46) RETTDP2CSF1RALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed