SCHEMBL4645134

SCHEMBL4645134

NC(=O)COc1ccc(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.58
MKNK2 Q9HBH9 7/20 0.58
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
PSMB5 P28074 2/20 0.51
ACACA Q13085 1/20 0.49
CYP2A6 P11509 1/20 0.49
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL15785422 0.86 CYP3A4 (0.59) MKNK1MKNK2CYP3A4CYP2D6CYP19A1
SCHEMBL1814097 0.82 MAPT (0.52) MAPTRAB9AALDH1A1GLA
SCHEMBL30588953 0.82 MAPT (0.52) MAPTRAB9AALDH1A1GLA
SCHEMBL5057157 0.82 ACACA (0.61) ACACAMAPTRAB9AALDH1A1
SCHEMBL27615591 0.80 MKNK1 (0.63) MKNK1MKNK2CYP3A4CYP2D6CYP19A1
SCHEMBL16197899 0.78 NOTUM (0.70) MKNK1MKNK2CYP3A4CYP2D6RAB9A
SCHEMBL5751218 0.78 CYP19A1 (0.73) MKNK1MKNK2CYP3A4CYP2D6CYP19A1
SCHEMBL13492969 0.76 MKNK1 (0.63) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1
SCHEMBL14080906 0.76 CYP19A1 (0.71) MKNK1MKNK2CYP3A4CYP2D6CYP19A1
SCHEMBL19599648 0.76 CYP2C9 (0.62) MKNK1MKNK2CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO disclosed