SCHEMBL20184400

SCHEMBL20184400

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.39
JAK2 O60674 11/20 0.39
CTSA P10619 4/20 0.38
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL20184538 0.88 JAK2 (0.39) JAK3JAK2SGK1CAMKK2
SCHEMBL20184548 0.85 JAK3 (0.53) JAK3JAK2SGK1CAMKK2
SCHEMBL20184551 0.85 JAK3 (0.53) JAK3JAK2JAK1
SCHEMBL20184525 0.84 JAK2 (0.49) JAK3JAK2SGK1CAMKK2
SCHEMBL20184478 0.84 JAK2 (0.53) JAK3JAK2PDE4BPDE4D
SCHEMBL20184599 0.84 JAK3 (0.53) JAK3JAK2SGK1CAMKK2
SCHEMBL20184581 0.84 JAK3 (0.43) JAK3JAK2JAK1
SCHEMBL20184417 0.83 DYRK1A (0.45) JAK3JAK2PDE4B
SCHEMBL20184489 0.82 JAK2 (0.51) JAK3JAK2SGK1CAMKK2
SCHEMBL20184593 0.82 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