SCHEMBL24639352

SCHEMBL24639352

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3OCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 17/20 0.49
PARP2 Q9UGN5 3/20 0.49
SOS1 Q07889 1/20 0.39
OGA O60502 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL24639389 1.00 TIPARP (0.49) TIPARPPARP2SOS1OGACHRM2
SCHEMBL24639355 1.00 TIPARP (0.49) TIPARPPARP2SOS1OGACHRM2
SCHEMBL26959648 0.89 TIPARP (0.48) TIPARPPARP2SOS1
SCHEMBL24640244 0.89 TIPARP (0.48) TIPARPPARP2SOS1
SCHEMBL24640309 0.89 TIPARP (0.48) TIPARPPARP2SOS1
SCHEMBL26958101 0.86 TIPARP (0.47) TIPARPPARP2HTR2B
SCHEMBL24640620 0.86 TIPARP (0.47) TIPARPPARP2HTR2B
SCHEMBL24639358 0.84 SOS1 (0.41) TIPARPPARP2SOS1
SCHEMBL24639353 0.84 SOS1 (0.41) TIPARPPARP2SOS1
SCHEMBL24954331 0.83 TIPARP (0.45) TIPARPPARP2

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