SCHEMBL20184554

SCHEMBL20184554

CCc1nc(-c2cc(N)cc(F)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.39
JAK2 O60674 14/20 0.39
LDHA P00338 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CHUK O15111 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MATK P42679 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
PIM3 Q86V86 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL20184581 0.83 JAK3 (0.43) JAK3JAK2
SCHEMBL20184599 0.83 JAK3 (0.53) JAK3JAK2HSP90AB1CHUK
SCHEMBL20184398 0.83 JAK2 (0.51) JAK3JAK2HSP90AB1CHUK
SCHEMBL20184555 0.83 HSP90AB1 (0.43) JAK3JAK2HSP90AB1CHUKDYRK1A
SCHEMBL20184408 0.82 JAK3 (0.43) JAK3JAK2HSP90AB1
SCHEMBL20184529 0.81 JAK3 (0.59) JAK3
SCHEMBL20184670 0.80 HSP90AB1 (0.42) JAK3JAK2HSP90AB1CHUK
SCHEMBL20184488 0.79 JAK3 (0.50) JAK3JAK2LDHA
SCHEMBL20184525 0.79 JAK2 (0.49) JAK3JAK2CHUK
SCHEMBL20184377 0.78 JAK3 (0.56) JAK3JAK2HSP90AB1

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