SCHEMBL20184555

SCHEMBL20184555

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
JAK2 O60674 9/20 0.40
JAK3 P52333 9/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CHUK O15111 1/20 0.39
DHODH Q02127 1/20 0.37
METAP2 P50579 1/20 0.36
MAPT P10636 1/20 0.35
DYRK1A Q13627 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SGK1 O00141 1/20 0.34
CAMKK2 Q96RR4 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
SCHEMBL20184527 0.89 JAK2 (0.49) HSP90AB1JAK2JAK3CHUKDHODH
SCHEMBL20184489 0.89 JAK2 (0.51) JAK2JAK3DHODHSGK1CAMKK2
SCHEMBL20184337 0.89 JAK2 (0.43) HSP90AB1JAK2JAK3CHUKMAPT
SCHEMBL20184525 0.89 JAK2 (0.49) JAK2JAK3CHUKSGK1CAMKK2
SCHEMBL20184700 0.88 JAK2 (0.40) JAK2JAK3DHODH
SCHEMBL20184415 0.87 JAK2 (0.38) JAK2JAK3DHODHMAPT
SCHEMBL20184599 0.86 JAK3 (0.53) HSP90AB1JAK2JAK3CHUKDHODH
SCHEMBL20184582 0.86 JAK2 (0.52) HSP90AB1JAK2JAK3SGK1CAMKK2
SCHEMBL20184538 0.86 JAK2 (0.39) HSP90AB1JAK2JAK3SGK1CAMKK2
SCHEMBL20184673 0.86 JAK2 (0.53) JAK2JAK3MAPT

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