SCHEMBL25839070

SCHEMBL25839070

COc1c[nH]c2ncc(C)nc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.37
CYP2C9 P11712 1/20 0.37
KIT P10721 5/20 0.36
DYRK1A Q13627 2/20 0.36
MAP4K1 Q92918 1/20 0.36
MAPK1 P28482 3/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33

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 0.77 MAPK1 (0.39) SYKMAPK1JAK2JAK1JAK3
SCHEMBL25851514 0.74 MAPK1 (0.37) SYKMAPK1JAK2JAK1JAK3
SCHEMBL14616216 0.74 MAPK1 (0.62) SYKMAPK1BRD4JAK2JAK1
SCHEMBL16946856 0.74 MAPK1 (0.37) SYKMAPK1JAK2JAK1JAK3
SCHEMBL13199608 0.74 JAK2 (0.40) SYKMAPK1JAK2JAK1JAK3
SCHEMBL10195822 0.73 MAPK1 (0.50) KITDYRK1AMAPK1BRD4AAK1
SCHEMBL22201885 0.71 SYK (0.39) SYKMAPK1JAK2JAK1JAK3
SCHEMBL24370189 0.70 SYK (0.36) SYKMAPK1JAK2JAK1JAK3
SCHEMBL12253392 0.70 MAPK1 (0.36) SYKCYP2C9MAPK1JAK2JAK1
SCHEMBL25839069 0.70 LRRK2 (0.40) 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