SCHEMBL31065798

SCHEMBL31065798

Cc1nc(C2CC2c2ccc(CN(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2F)c2cc(Cl)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
CETP P11597 2/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
PRCP P42785 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
SCHEMBL31065776 0.77 GPR119 (0.32) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31065757 0.77 JAK2 (0.34) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31065750 0.71 GPR119 (0.32) GPR119
SCHEMBL31065748 0.70 USP30 (0.32) GPR119
SCHEMBL30968142 0.68 USP30 (0.38) GPR119
SCHEMBL31065803 0.68 USP30 (0.38) GPR119
SCHEMBL13896107 0.67 JAK2 (0.65) JAK2JAK1CETPGPR119
SCHEMBL12094618 0.67 JAK2 (0.65) JAK2JAK1CETPGPR119
SCHEMBL31065774 0.67 GPR119 (0.36) GPR119
SCHEMBL30968006 0.67 GPR119 (0.36) GPR119

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-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed