SCHEMBL17451314

SCHEMBL17451314

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(NC(=O)O)c3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.53
▸ JAK2 O60674 9/20 0.53
▸ JAK1 P23458 8/20 0.53
▸ JAK3 P52333 5/20 0.53
▸ TYK2 P29597 4/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ STAT3 P40763 2/20 0.53
▸ KDR P35968 1/20 0.53
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ BCR P11274 8/20 0.49
▸ SRC P12931 6/20 0.49
▸ PDGFRB P09619 5/20 0.49
▸ PDGFRA P16234 5/20 0.49
▸ PRKCA P17252 5/20 0.46
▸ PRKCD Q05655 3/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ PRKCE Q02156 2/20 0.45
▸ PRKCG P05129 1/20 0.45

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
SCHEMBL3310920 0.93 JAK2 (0.52) ABL1JAK2JAK1JAK3TYK2
SCHEMBL17451307 0.92 CCNE1 (0.58) ABL1JAK2JAK1JAK3TYK2
SCHEMBL3310399 0.92 ABL1 (0.51) ABL1JAK2JAK1JAK3TYK2
SCHEMBL2357620 0.91 ABL1 (0.52) ABL1JAK2JAK1JAK3TYK2
SCHEMBL2356650 0.90 ABL1 (0.47) ABL1JAK2JAK1JAK3TYK2
SCHEMBL3311712 0.90 ABL1 (0.49) ABL1JAK2JAK1JAK3TYK2
SCHEMBL3309501 0.90 ABL1 (0.47) ABL1JAK2JAK1JAK3TYK2
SCHEMBL2356289 0.89 JAK2 (0.58) ABL1JAK2JAK1JAK3TYK2
SCHEMBL3309499 0.88 ABL1 (0.48) ABL1JAK2JAK1JAK3TYK2
SCHEMBL3301729 0.88 JAK2 (0.54) ABL1JAK2JAK1JAK3TYK2

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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