SCHEMBL24944380

SCHEMBL24944380

CNc1nc(Nc2ccc(N3CC4CC3CO4)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.35
▸ FPR2 P25090 3/20 0.34
▸ MTOR P42345 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ SYK P43405 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
SCHEMBL24944379 1.00 LRRK2 (0.35) LRRK2FPR2MTORMAP3K12SYK
SCHEMBL30206231 1.00 LRRK2 (0.35) LRRK2FPR2MTORMAP3K12SYK
SCHEMBL30206294 0.93 LRRK2 (0.37) LRRK2FPR2MTORMAP3K12
SCHEMBL30205484 0.90 LRRK2 (0.37) LRRK2FPR2MTORSYK
SCHEMBL24944753 0.90 LRRK2 (0.37) LRRK2FPR2MTORSYK
SCHEMBL24944755 0.90 LRRK2 (0.37) LRRK2FPR2MTORSYK
SCHEMBL30205562 0.89 FPR2 (0.35) LRRK2FPR2
SCHEMBL24944433 0.89 FPR2 (0.35) LRRK2FPR2
SCHEMBL24944439 0.89 FPR2 (0.35) LRRK2FPR2
SCHEMBL24944780 0.88 LRRK2 (0.34) 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