SCHEMBL6177380

SCHEMBL6177380

CC(C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.65
RIPK3 Q9Y572 1/20 0.44
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
POLB P06746 1/20 0.41
CDK2 P24941 4/20 0.40
CCNA2 P20248 3/20 0.40
CCNA1 P78396 3/20 0.40
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL6178434 0.89 MAPK14 (0.67) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6177632 0.88 MAPK14 (0.66) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6193980 0.88 MAPK14 (0.63) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6176683 0.88 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6175326 0.88 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6178135 0.87 MAPK14 (0.64) MAPK14RIPK3POLB
SCHEMBL6176087 0.87 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6180982 0.86 MAPK14 (0.49) MAPK14PSEN1PSEN2APH1BNCSTN
SCHEMBL6178772 0.84 MAPK14 (0.61) MAPK14RIPK3MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6177983 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326848-C Aminopyrazole derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2007-07-18 CN disclosed
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
CN-1331688-A Aminopyridine Derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2002-01-16 CN disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed