SCHEMBL6175653

SCHEMBL6175653

COc1ccc(CC(=O)N(C)c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
MAPK14 Q16539 7/20 0.47
WNT3A P56704 1/20 0.46
SLC2A1 P11166 1/20 0.44
SLC2A4 P14672 1/20 0.44
RIPK3 Q9Y572 1/20 0.43
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6176784 0.93 MAPK14 (0.53) SRCBRAFKDRMAPK14MAPK13
SCHEMBL6179013 0.91 MAPK14 (0.53) SRCBRAFKDRMAPK14MAPK13
SCHEMBL4336481 0.88 MAPK14 (0.57) SRCBRAFKDRMAPK14MAPK13
SCHEMBL6176619 0.84 MAPK14 (0.46) SRCBRAFKDRMAPK14MAPK13
SCHEMBL6175734 0.83 MAPK14 (0.48) SRCBRAFKDRMAPK14PTGDR2
SCHEMBL6180262 0.81 MAPK14 (0.56) SRCBRAFKDRMAPK14WNT3A
SCHEMBL6177991 0.80 MAPK14 (0.48) SRCBRAFKDRMAPK14PTGDR2
SCHEMBL6178593 0.80 MAPK14 (0.48) SRCBRAFKDRMAPK14MAPK13
SCHEMBL6028828 0.80 SRC (0.49) SRCBRAFKDRMAPK14SLC2A1
SCHEMBL6177608 0.80 MAPK14 (0.47) SRCBRAFKDRMAPK14MAPK13

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