SCHEMBL20184522

SCHEMBL20184522

CCc1nc(-c2cccc(-c3ccnc(C#N)n3)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.37
JAK2 O60674 8/20 0.37
HSP90AB1 P08238 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KMO O15229 3/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CHUK O15111 4/20 0.36
IKBKB O14920 3/20 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
SCHEMBL20184448 0.84 JAK3 (0.46) JAK3JAK2
SCHEMBL20184677 0.84 F11 (0.43) JAK3JAK2HSP90AB1LRRK2CHUK
SCHEMBL20184497 0.83 HSP90AB1 (0.36) JAK3JAK2HSP90AB1CTSSCTSK
SCHEMBL20184520 0.82 JAK3 (0.41) JAK3JAK2
SCHEMBL20184551 0.79 JAK3 (0.53) JAK3JAK2KMO
SCHEMBL20184548 0.79 JAK3 (0.53) JAK3JAK2CHUKIKBKB
SCHEMBL16245236 0.79 JAK3 (0.39) JAK3JAK2HSP90AB1
SCHEMBL20184525 0.79 JAK2 (0.49) JAK3JAK2CHUK
SCHEMBL20184532 0.79 PRKD1 (0.40) JAK3JAK2HSP90AB1CTSS
SCHEMBL20184581 0.78 JAK3 (0.43) JAK3JAK2

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