SCHEMBL7854906

SCHEMBL7854906

CC1CNCCC1c1[nH]nc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.63
MAPK11 Q15759 11/20 0.63
MAPK13 O15264 2/20 0.42
MAPK9 P45984 2/20 0.42
MAPK12 P53778 2/20 0.42
RAF1 P04049 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PIM1 P11309 1/20 0.38
IKBKB O14920 1/20 0.36

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
SCHEMBL5260860 0.84 MAPK11 (0.76) MAPK14MAPK11MAPK13MAPK9MAPK12
Hydrochloric Acid SCHEMBL5259077 0.83 MAPK11 (0.74) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL5259318 0.77 MAPK11 (1.00) MAPK14MAPK11
SCHEMBL5258174 0.77 MAPK11 (0.75) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL5259009 0.77 MAPK11 (0.74) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL5259004 0.77 MAPK11 (0.74) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL5257383 0.71 MAPK11 (0.78) MAPK14MAPK11MAPK13MAPK9MAPK12
Hydrochloric Acid SCHEMBL5257534 0.71 MAPK11 (0.76) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL23873173 0.70 HTR2C (0.60)
SCHEMBL26115367 0.70 HTR2C (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed