SCHEMBL24640646

SCHEMBL24640646

CC(C)N1CCN2c3ncc(N4CC(F)(F)C4)cc3OCC[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
TIPARP Q7Z3E1 11/20 0.34
PARP2 Q9UGN5 3/20 0.34
CNR2 P34972 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
PIK3CD O00329 2/20 0.30

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
SCHEMBL24640655 1.00 SOS1 (0.37) SOS1TIPARPPARP2CNR2CYP3A4
SCHEMBL24639258 0.90 TIPARP (0.33) TIPARP
SCHEMBL24639285 0.90 TIPARP (0.33) TIPARP
SCHEMBL24639264 0.90 TIPARP (0.33) TIPARP
SCHEMBL24640633 0.89 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6
SCHEMBL24640198 0.89 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6
SCHEMBL24640179 0.89 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6
SCHEMBL24640178 0.88 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6
SCHEMBL24640223 0.88 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6
SCHEMBL24640632 0.88 SOS1 (0.37) SOS1TIPARPPARP2CYP3A4CYP2D6

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