SCHEMBL24639263

SCHEMBL24639263

CN1CCN2c3ncc(N4CCC4)cc3OC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 12/20 0.34
HTR3A P46098 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP12 Q9H0J9 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CSF1R P07333 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 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
SCHEMBL24639347 0.89 TIPARP (0.32) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24639274 0.85 TIPARP (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24639260 0.85 TIPARP (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24640618 0.85 TIPARP (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24640813 0.83 HTR3A (0.35) TIPARPHTR3ACSF1RHRH4KRAS
SCHEMBL24640826 0.83 HTR3A (0.35) TIPARPHTR3ACSF1RHRH4KRAS
SCHEMBL24639378 0.83 HTR3A (0.35) TIPARPHTR3ACSF1RHRH4KRAS
SCHEMBL24675019 0.82 HTR2A (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24675032 0.82 HTR2A (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12
SCHEMBL24675018 0.82 HTR2A (0.34) TIPARPPARP1CYP2C9CYP2C19PARP12

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