SCHEMBL31337595

SCHEMBL31337595

CC(C)(C)OC(=O)NCCNc1c(N)c(Cl)nc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
LATS1 O95835 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
NQO2 P16083 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
GRM2 Q14416 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
BRD4 O60885 4/20 0.38
MALT1 Q9UDY8 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ACHE P22303 2/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL31709559 1.00 BCHE (0.42) BCHELATS1AAK1NQO2STK17B
SCHEMBL31337610 0.94 STK17B (0.43) BCHESTK17BSTK17ABRD4ACHE
SCHEMBL31709315 0.94 STK17B (0.43) BCHESTK17BSTK17ABRD4ACHE
SCHEMBL31709821 0.88 GRM2 (0.44) AAK1GRM2BRD4
SCHEMBL22444993 0.86 BRD4 (0.45) STK17BSTK17ABRD4ADORA3
SCHEMBL841971 0.85 BCHE (0.53) BCHELATS1BRD4MALT1ACHE
SCHEMBL31337606 0.85 BCHE (0.40) BCHELATS1AAK1NQO2STK17B
SCHEMBL30982130 0.82 GAA (0.53) BCHENQO2BRD4MALT1ACHE
SCHEMBL31709349 0.82 ALDH1A1 (0.38) BCHELATS1AAK1NQO2STK17B
SCHEMBL1230928 0.82 LATS1 (0.43) BCHELATS1AAK1NQO2STK17B

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
CN-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 CN disclosed