SCHEMBL24640294

SCHEMBL24640294

CCCC(=O)N1CCN2c3ncc(C(F)(F)F)cc3C(=O)NC[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.45
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
MDM2 Q00987 1/20 0.41

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
SCHEMBL24640944 1.00 TIPARP (0.45) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640282 1.00 TIPARP (0.45) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL29841987 0.86 MDM2 (0.41) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640551 0.86 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640557 0.86 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640556 0.86 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639886 0.85 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640297 0.85 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639969 0.85 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639931 0.84 KRAS (0.44) 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