SCHEMBL1013362

SCHEMBL1013362

CC(C)(C#N)c1cc(NC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 14/20 0.58
MAPK12 P53778 14/20 0.58
MAPK11 Q15759 14/20 0.58
MAPK14 Q16539 14/20 0.58
JAK2 O60674 1/20 0.57
GAA P10253 1/20 0.56
NTRK1 P04629 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL15485284 0.91 CDK8 (0.63) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1781766 0.87 RAF1 (0.52) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1012719 0.85 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL15492502 0.83 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL1780615 0.79 KCNJ6 (0.67) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL15516841 0.78 CDK8 (0.63) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL20569742 0.78 MAP3K7 (0.61) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL17911686 0.77 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL15717788 0.77 NTRK1 (0.85) GAANTRK1HPGD
SCHEMBL25793170 0.77 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14JAK2

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 6 patents. 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
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed