SCHEMBL20184398

SCHEMBL20184398

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.51
JAK3 P52333 13/20 0.51
CHUK O15111 4/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
IKBKB O14920 3/20 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
SCHEMBL20184527 0.89 JAK2 (0.49) JAK2JAK3CHUKIKBKBHSP90AB1
SCHEMBL20184489 0.89 JAK2 (0.51) JAK2JAK3
SCHEMBL20184337 0.89 JAK2 (0.43) JAK2JAK3CHUKIKBKBHSP90AB1
SCHEMBL20184525 0.89 JAK2 (0.49) JAK2JAK3CHUK
SCHEMBL20184357 0.88 CHUK (0.47) JAK2JAK3CHUK
SCHEMBL20184700 0.88 JAK2 (0.40) JAK2JAK3
SCHEMBL20184555 0.88 HSP90AB1 (0.43) JAK2JAK3CHUKADORA2AHSP90AB1
SCHEMBL20184581 0.86 JAK3 (0.43) JAK2JAK3
SCHEMBL20184582 0.86 JAK2 (0.52) JAK2JAK3HSP90AB1
SCHEMBL20184673 0.86 JAK2 (0.53) JAK2JAK3

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