SCHEMBL24944780

SCHEMBL24944780

CNc1nc(Nc2ccc(CN3C[C@H]4C[C@@H]3CO4)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.34
▸ TLR7 Q9NYK1 1/20 0.32
▸ FPR2 P25090 2/20 0.31
▸ KRAS P01116 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 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
SCHEMBL30205960 1.00 LRRK2 (0.34) LRRK2TLR7FPR2KRASCCNC
SCHEMBL30206270 0.94 LRRK2 (0.36) LRRK2TLR7KRASCCNCCDK8
SCHEMBL24944495 0.89 TLR7 (0.37) LRRK2TLR7FPR2CCNCCDK8
SCHEMBL30206258 0.89 TLR7 (0.37) LRRK2TLR7FPR2CCNCCDK8
SCHEMBL30205936 0.89 TLR7 (0.37) LRRK2TLR7FPR2CCNCCDK8
SCHEMBL24944493 0.89 TLR7 (0.37) LRRK2TLR7FPR2CCNCCDK8
SCHEMBL24944781 0.89 TLR7 (0.37) LRRK2TLR7FPR2CCNCCDK8
SCHEMBL24944380 0.88 LRRK2 (0.35) LRRK2FPR2
SCHEMBL24944379 0.88 LRRK2 (0.35) LRRK2FPR2
SCHEMBL30206231 0.88 LRRK2 (0.35) LRRK2FPR2

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-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
Send feedback