SCHEMBL17424560

SCHEMBL17424560

Cc1cnc(Nc2ccc(N3CCC(COI)CC3)cc2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.74
▸ JAK3 P52333 18/20 0.74
▸ JAK1 P23458 14/20 0.73
▸ HDAC1 Q13547 2/20 0.56
▸ BMPR1B O00238 1/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ CIT O14578 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ OPA1 O60313 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ STK16 O75716 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ CSNK2A2 P19784 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ TYK2 P29597 1/20 0.54
▸ BMPR1A P36894 1/20 0.54
▸ TGFBR1 P36897 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ STAT5A P42229 1/20 0.54

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
SCHEMBL23897364 0.93 JAK2 (0.75) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL30051760 0.91 JAK2 (0.79) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL2863402 0.91 JAK2 (0.79) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL2866901 0.89 JAK2 (0.81) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL30051224 0.89 JAK2 (0.81) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL23897397 0.88 JAK2 (0.78) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL3620070 0.85 JAK2 (1.00) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL16446481 0.85 JAK2 (1.00) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL30053539 0.85 JAK2 (0.74) JAK2JAK3JAK1HDAC1BMPR1B
SCHEMBL2865984 0.85 JAK2 (0.74) JAK2JAK3JAK1HDAC1BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 — — US disclosed
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