SCHEMBL20184532

SCHEMBL20184532

CCc1nc(-c2cccc(C(=O)NCC#N)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 4/20 0.40
CTSL P07711 5/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 3/20 0.39
JAK2 O60674 5/20 0.38
GPR84 Q9NQS5 2/20 0.37
CTSV O60911 1/20 0.37
CDK8 P49336 1/20 0.37
JAK3 P52333 5/20 0.37
HSP90AB1 P08238 1/20 0.37
PAK1 Q13153 1/20 0.36

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
SCHEMBL20184323 0.86 JAK3 (0.41) JAK2CDK8JAK3
SCHEMBL20184677 0.84 F11 (0.43) JAK2JAK3HSP90AB1
SCHEMBL20184417 0.84 DYRK1A (0.45) JAK2CDK8JAK3
SCHEMBL20184533 0.83 JAK3 (0.52) JAK2JAK3
SCHEMBL20184593 0.83 GPR84 (0.48) JAK2GPR84CDK8JAK3
SCHEMBL20184548 0.81 JAK3 (0.53) JAK2JAK3
SCHEMBL20184551 0.81 JAK3 (0.53) JAK2JAK3
SCHEMBL20184694 0.81 JAK3 (0.47) JAK2JAK3
SCHEMBL20184525 0.81 JAK2 (0.49) JAK2GPR84JAK3
SCHEMBL20184581 0.81 JAK3 (0.43) JAK2JAK3

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-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP claimed