SCHEMBL20184599

SCHEMBL20184599

CCc1nc(-c2cccc(F)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.53
JAK2 O60674 7/20 0.53
CHUK O15111 1/20 0.43
HSP90AB1 P08238 1/20 0.43
DHODH Q02127 3/20 0.39
DCLRE1B Q9H816 1/20 0.39
KMO O15229 1/20 0.39
PIN1 Q13526 1/20 0.39
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL20184548 0.88 JAK3 (0.53) JAK3JAK2CHUKDHODHSGK1
SCHEMBL20184551 0.88 JAK3 (0.53) JAK3JAK2DHODHKMOPIN1
SCHEMBL20184525 0.87 JAK2 (0.49) JAK3JAK2CHUKSGK1CAMKK2
SCHEMBL20184478 0.87 JAK2 (0.53) JAK3JAK2DHODHDCLRE1BKMO
SCHEMBL20184581 0.87 JAK3 (0.43) JAK3JAK2
SCHEMBL20184555 0.86 HSP90AB1 (0.43) JAK3JAK2CHUKHSP90AB1DHODH
SCHEMBL20184417 0.86 DYRK1A (0.45) JAK3JAK2DHODH
SCHEMBL20184489 0.85 JAK2 (0.51) JAK3JAK2DHODHSGK1CAMKK2
SCHEMBL20184518 0.85 PRKAB2 (0.48) JAK3JAK2DHODHPIN1
SCHEMBL20184593 0.85 GPR84 (0.48) 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