SCHEMBL6173798

SCHEMBL6173798

Cn1nc(-c2ccc(F)c(Cl)c2)c(-c2ccncc2)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GPR142 Q7Z601 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ABL1 P00519 1/20 0.35
RIPK2 O43353 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
TNK2 Q07912 1/20 0.35
PTK6 Q13882 1/20 0.35

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
SCHEMBL6177661 0.88 MAPK14 (0.57) MAPK14TSHR
SCHEMBL6179160 0.88 MAPK14 (0.46) MAPK14SMN1; SMN2MAPTTRPA1
SCHEMBL6176923 0.87 P2RX7 (0.45) MAPK14NAMPTP2RX7
SCHEMBL6177735 0.86 MAPK14 (0.53) MAPK14MAPTCSNK1DCSNK1ESRC
SCHEMBL6173808 0.81 MAPT (0.36) MAPK14MEN1LMNAMAPTKMT2A
SCHEMBL4336955 0.81 MAPK14 (0.52) MAPK14SMN1; SMN2KMT2ACSNK1DCSNK1E
SCHEMBL6177670 0.81 FYN (0.43) MAPK14MEN1LMNAMAPTKMT2A
SCHEMBL6178358 0.80 P2RX7 (0.46) MAPK14NAMPTP2RX7
SCHEMBL4334122 0.80 SMN1; SMN2 (0.55) MAPK14SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6178252 0.80 TRPV1 (0.47) MAPK14SMN1; SMN2MEN1LMNAMAPT

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-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
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed