SCHEMBL24640609

SCHEMBL24640609

CC(C)N1CCN2c3ncc(Cl)c(F)c3OCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 5/20 0.39
SOS1 Q07889 1/20 0.38
KRAS P01116 3/20 0.31
RPS6KA1 Q15418 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
IDH1 O75874 1/20 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
SCHEMBL24639973 1.00 TIPARP (0.39) TIPARPSOS1KRASRPS6KA1HTR2A
SCHEMBL24639257 1.00 TIPARP (0.39) TIPARPSOS1KRASRPS6KA1HTR2A
SCHEMBL24640214 0.91 TIPARP (0.34) TIPARPSOS1KRASIDH1
SCHEMBL24640712 0.91 TIPARP (0.34) TIPARPSOS1KRASIDH1
SCHEMBL24640213 0.91 TIPARP (0.34) TIPARPSOS1KRASIDH1
SCHEMBL24639252 0.90 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639282 0.89 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639392 0.89 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639382 0.89 TIPARP (0.38) TIPARPSOS1KRAS
SCHEMBL24639988 0.88 SOS1 (0.39) TIPARPSOS1IDH1

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