SCHEMBL30301433

SCHEMBL30301433

CCOC(C)n1nc(C)c(-c2cn[nH]c2)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.32
MTOR P42345 2/20 0.31
PIK3CA P42336 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL24088572 0.71 KCNH2 (0.38) ROCK2MTORPIK3CA
SCHEMBL25753038 0.71 BRD4 (0.39) ADORA2AADORA2BADORA1
SCHEMBL732594 0.60 TTK (0.37) ROCK2
SCHEMBL24088570 0.59 MAP3K5 (0.43)
SCHEMBL22057992 0.59 KCNH2 (0.37)
SCHEMBL23780340 0.58 GPR35 (0.36) ROCK2MTORPIK3CA
SCHEMBL3740850 0.57 AKT2 (0.70) ROCK2
SCHEMBL20995329 0.57 AKT2 (0.47) ROCK2
Hydrochloric Acid SCHEMBL30301426 0.57 AKT2 (0.52)
SCHEMBL9921839 0.57 JAK2 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157831-A1 PROCESSES OF PREPARING A JAK1 INHIBITOR Incyte Corporation (US) 2023-04-05 EP disclosed
CN-115836065-A Methods of making JAK1 inhibitors 因赛特公司 2023-03-21 CN disclosed