SCHEMBL24640309

SCHEMBL24640309

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3OCC2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 17/20 0.48
PARP2 Q9UGN5 4/20 0.43
PARP1 P09874 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP12 Q9H0J9 1/20 0.43
KRAS P01116 3/20 0.37
SOS1 Q07889 3/20 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
SCHEMBL24640244 1.00 TIPARP (0.48) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL26959648 1.00 TIPARP (0.48) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640927 0.91 TIPARP (0.47) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639352 0.89 TIPARP (0.49) TIPARPPARP2SOS1
SCHEMBL24639389 0.89 TIPARP (0.49) TIPARPPARP2SOS1
SCHEMBL24639355 0.89 TIPARP (0.49) TIPARPPARP2SOS1
SCHEMBL24640182 0.84 TIPARP (0.38) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640187 0.84 TIPARP (0.38) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639265 0.82 TIPARP (0.34) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640209 0.82 TIPARP (0.34) TIPARPPARP2PARP1CYP2C9CYP2C19

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