SCHEMBL17310226

SCHEMBL17310226

COc1cc(N2CCN(C(=O)O)CC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.77
▸ JAK2 O60674 4/20 0.50
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CREBBP Q92793 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
SCHEMBL17310235 0.90 ALK (0.72) ALKJAK2JAK1TYK2JAK3
SCHEMBL20590754 0.89 ALK (0.78) ALKJAK2JAK1TYK2JAK3
SCHEMBL15932986 0.87 ALK (1.00) ALKJAK2JAK1TYK2JAK3
SCHEMBL17310117 0.81 ALK (0.75) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933019 0.79 ALK (0.64) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933001 0.76 ALK (1.00) ALKJAK2JAK1TYK2JAK3
SCHEMBL17404656 0.74 ALK (0.76) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933012 0.74 ALK (1.00) ALKJAK2JAK1TYK2JAK3
SCHEMBL15933007 0.71 ALK (0.56) ALKJAK2JAK1TYK2JAK3
SCHEMBL15147544 0.69 ALK (0.67) ALKJAK2

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-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 — — EP disclosed
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