SCHEMBL4664181

SCHEMBL4664181

Cc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccncc2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.55
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 9/20 0.55
CDK8 P49336 1/20 0.53
PTK2 Q05397 2/20 0.52
TNF P01375 1/20 0.47
HCK P08631 1/20 0.47
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
JAK2 O60674 1/20 0.45
DDR2 Q16832 1/20 0.44

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
SCHEMBL14600237 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL14600443 0.89 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL14600238 0.89 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL14600240 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14600243 0.87 GFER (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14600246 0.84 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL5008471 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL5008332 0.81 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL3939655 0.81 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL14600236 0.81 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11CDK8

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-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed