SCHEMBL20184329

SCHEMBL20184329

CCc1nc(-c2ccc(C#N)cc2)c2c(C(=O)O)c[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.46
CHUK O15111 9/20 0.39
JAK2 O60674 6/20 0.38
JAK3 P52333 6/20 0.38
IKBKB O14920 6/20 0.38
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
JAK1 P23458 1/20 0.35
TYMS P04818 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
SCHEMBL20184677 0.87 F11 (0.43) HSP90AB1CHUKJAK2JAK3IKBKB
SCHEMBL20184489 0.86 JAK2 (0.51) JAK2JAK3CAMKK2
SCHEMBL20184337 0.86 JAK2 (0.43) HSP90AB1CHUKJAK2JAK3IKBKB
SCHEMBL20184527 0.86 JAK2 (0.49) HSP90AB1CHUKJAK2JAK3IKBKB
SCHEMBL20184525 0.86 JAK2 (0.49) CHUKJAK2JAK3CAMKK2
SCHEMBL20184555 0.85 HSP90AB1 (0.43) HSP90AB1CHUKJAK2JAK3CAMKK2
SCHEMBL20184700 0.85 JAK2 (0.40) JAK2JAK3
SCHEMBL20184357 0.83 CHUK (0.47) CHUKJAK2JAK3CAMKK2TYMS
SCHEMBL20184538 0.83 JAK2 (0.39) HSP90AB1JAK2JAK3CAMKK2
SCHEMBL20184582 0.83 JAK2 (0.52) HSP90AB1JAK2JAK3CAMKK2

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