SCHEMBL17451320

SCHEMBL17451320

N#CCC(C1CCN(Cc2ccccc2)CC1)n1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.52
▸ JAK3 P52333 7/20 0.48
▸ JAK1 P23458 5/20 0.48
▸ ACVR1 Q04771 2/20 0.47
▸ PLK4 O00444 3/20 0.47
▸ BMPR1B O00238 1/20 0.47
▸ CIT O14578 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ OPA1 O60313 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ STK16 O75716 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MARK3 P27448 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ BMPR1A P36894 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ STAT5A P42229 1/20 0.47

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
SCHEMBL2356388 0.91 JAK2 (0.58) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL3709983 0.90 JAK2 (0.56) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2358412 0.89 JAK2 (0.55) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2358356 0.89 JAK2 (0.55) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2356619 0.87 JAK2 (0.50) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2356073 0.87 JAK2 (0.54) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2358315 0.87 JAK2 (0.55) JAK2JAK3JAK1ACVR1PLK4
Hydrochloric Acid SCHEMBL4410217 0.86 JAK2 (0.54) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2357999 0.86 JAK2 (0.50) JAK2JAK3JAK1ACVR1PLK4
SCHEMBL2359102 0.85 JAK2 (0.54) JAK2JAK3JAK1ACVR1PLK4

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
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP claimed
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