SCHEMBL6180875

SCHEMBL6180875

Cn1nc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.60
RIPK3 Q9Y572 1/20 0.47
RIPK2 O43353 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
FYN P06241 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
MAPK9 P45984 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL6292681 0.77 MAPT (0.49) MAPK14RIPK2MAPTUSP2KMT2A
SCHEMBL4331951 0.76 MAPK14 (0.58) MAPK14MAPTKMT2AFYNSMN1; SMN2
SCHEMBL5475442 0.75 MAPK13 (0.57) MAPK14RIPK3MAPK1BRAFPOLB
SCHEMBL6289177 0.75 ADORA2A (0.54) MAPK14RIPK2MAPTUSP2KMT2A
SCHEMBL6076732 0.75 MAPK14 (0.74) MAPK14RIPK2MAPTSRCBRAF
SCHEMBL6177947 0.75 MAPK14 (1.00) MAPK14RIPK2SRCBRAFKDR
SCHEMBL6923809 0.74 CA12 (0.54) MAPTUSP2KMT2AFYNSMN1; SMN2
SCHEMBL4331198 0.73 MAPK14 (0.52) MAPK14MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL13855026 0.72 HTT (0.48) MAPK14RIPK2MAPTUSP2KMT2A
SCHEMBL16045349 0.72 SMN1; SMN2 (0.46) MAPK14RIPK3RIPK2MAPTUSP2

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