SCHEMBL24639282

SCHEMBL24639282

Cc1c(Cl)cnc2c1OCC[C@@H]1CN(C(C)C)CCN21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 3/20 0.38
SOS1 Q07889 1/20 0.35
KRAS P01116 2/20 0.31

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
SCHEMBL24639392 1.00 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639382 1.00 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639252 0.90 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24640207 0.90 TIPARP (0.31) TIPARPKRAS
SCHEMBL24640194 0.90 TIPARP (0.31) TIPARPKRAS
SCHEMBL24639257 0.89 TIPARP (0.39) TIPARPSOS1KRAS
SCHEMBL24639973 0.89 TIPARP (0.39) TIPARPSOS1KRAS
SCHEMBL24640609 0.89 TIPARP (0.39) TIPARPSOS1KRAS
SCHEMBL24639246 0.88 SOS1 (0.35) TIPARPSOS1KRAS
SCHEMBL24639253 0.88 SOS1 (0.35) TIPARPSOS1KRAS

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed