SCHEMBL19916629

SCHEMBL19916629

COc1ccc(-n2nc(C(C)C)cc2NC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
RAF1 P04049 2/20 0.50
KCNJ6 P48051 6/20 0.49
KCNJ3 P48549 6/20 0.49
KCNJ5 P48544 5/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1013255 0.83 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL31324294 0.77 MAPT (0.74) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL15484911 0.75 KCNJ6 (0.70) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL4695418 0.74 BRAF (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15720178 0.73 CDK8 (0.67) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL1016466 0.73 LMNA (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1011730 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15490413 0.72 KCNJ6 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15485142 0.71 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL4052022 0.70 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1

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
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed