SCHEMBL20930670

SCHEMBL20930670

CCSNc1ccc(-c2nc(NC(=O)C3CC3)nc3[nH]cnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.51
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MERTK Q12866 1/20 0.37

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
SCHEMBL20930234 0.85 JAK1 (0.54) JAK1ADORA2AADORA1
SCHEMBL20918015 0.84 JAK1 (0.71) JAK1
SCHEMBL30356056 0.84 JAK1 (0.71) JAK1
SCHEMBL20930656 0.83 JAK1 (0.72) JAK1
SCHEMBL20930242 0.82 JAK1 (0.53) JAK1
SCHEMBL20930446 0.81 JAK1 (0.51) JAK1
SCHEMBL20918792 0.78 JAK1 (0.55) JAK1
SCHEMBL30356243 0.78 JAK1 (0.55) JAK1
SCHEMBL20917996 0.75 JAK1 (0.75) JAK1
SCHEMBL30356129 0.75 JAK1 (0.75) JAK1

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
WO-2019078619-A1 HETEROCYCLIC COMPOUND AS A PROTEIN KINASE INHIBITOR CJ HEALTHCARE CORPORATION (KR) 2019-04-25 — — WO disclosed
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