SCHEMBL25839069

SCHEMBL25839069

Cc1cnc2[nH]cc(C#N)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.40
ROCK2 O75116 7/20 0.40
ROCK1 Q13464 7/20 0.40
CDC42BPB Q9Y5S2 7/20 0.40
CDC42BPA Q5VT25 4/20 0.40
CHUK O15111 3/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
HSP90AB1 P08238 1/20 0.36
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 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
SCHEMBL7950769 0.76 MAPK1 (0.39) ROCK2ROCK1CDC42BPBJAK2JAK3
SCHEMBL25851514 0.73 MAPK1 (0.37) JAK2JAK3
SCHEMBL16946856 0.73 MAPK1 (0.37) JAK2JAK3
SCHEMBL13199608 0.73 JAK2 (0.40) LRRK2JAK2JAK3HSP90AB1
SCHEMBL14616216 0.73 MAPK1 (0.62) JAK2JAK3
SCHEMBL25839070 0.70 SYK (0.37) JAK2JAK3
SCHEMBL22201885 0.70 SYK (0.39) JAK2JAK3
SCHEMBL2281327 0.70 AAK1 (0.66)
SCHEMBL24370189 0.69 SYK (0.36) JAK2JAK3HSP90AB1
SCHEMBL12253392 0.69 MAPK1 (0.36) 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
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed