SCHEMBL24639271

SCHEMBL24639271

C=C(C)N1CCN2c3ncc(Cl)c(Cl)c3OCC2C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.40
TIPARP Q7Z3E1 1/20 0.34

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
SCHEMBL24639249 0.78 LTA4H (0.33) KRASTIPARP
SCHEMBL24640616 0.78 KRAS (0.32) KRASTIPARP
SCHEMBL24639280 0.78 LTA4H (0.33) KRASTIPARP
SCHEMBL31245220 0.76 TIPARP (0.48) TIPARP
SCHEMBL24640780 0.75 LTA4H (0.36) KRAS
SCHEMBL24640311 0.74 TIPARP (0.34) KRASTIPARP
SCHEMBL24640825 0.71 TIPARP (0.48) KRASTIPARP
SCHEMBL31244967 0.71 TIPARP (0.48) TIPARP
SCHEMBL31245225 0.69 KRAS (0.41) KRASTIPARP
SCHEMBL24640611 0.68 TIPARP (0.34) KRASTIPARP

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