SCHEMBL20184515

SCHEMBL20184515

CCc1nc(-c2ccc(CO)c(N)c2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.56
JAK2 O60674 13/20 0.56
CFTR P13569 1/20 0.35
MAP4K1 Q92918 4/20 0.35
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ABL1 P00519 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL20184536 0.89 JAK3 (0.47) JAK3JAK2
SCHEMBL20184377 0.87 JAK3 (0.56) JAK3JAK2
SCHEMBL20184679 0.86 JAK3 (0.56) JAK3JAK2MAP4K1
SCHEMBL20184408 0.86 JAK3 (0.43) JAK3JAK2
SCHEMBL20184605 0.82 JAK3 (0.59) JAK3JAK2
SCHEMBL20184581 0.82 JAK3 (0.43) JAK3JAK2
SCHEMBL20184434 0.81 JAK3 (0.74) JAK3JAK2
SCHEMBL20184672 0.81 JAK2 (0.54) JAK3JAK2SGK1CAMKK2
SCHEMBL20184489 0.80 JAK2 (0.51) JAK3JAK2SGK1CAMKK2
SCHEMBL20184527 0.80 JAK2 (0.49) JAK3JAK2SGK1CAMKK2

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