SCHEMBL24944207

SCHEMBL24944207

Cc1nn(C[C@@H](F)CF)cc1Nc1nc(C2CC2)c(-c2cncc3c2ncn3C)nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.37
▸ IKBKE Q14164 2/20 0.31
▸ TBK1 Q9UHD2 2/20 0.31
▸ ULK3 Q6PHR2 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ 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
SCHEMBL29173293 1.00 LRRK2 (0.37) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL30205523 1.00 LRRK2 (0.37) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL24944208 1.00 LRRK2 (0.37) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL30205542 0.94 LRRK2 (0.38) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL24944216 0.94 LRRK2 (0.38) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL29173311 0.90 LRRK2 (0.37) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL24944553 0.88 LRRK2 (0.42) LRRK2IKBKETBK1ULK3MKNK2
SCHEMBL24944203 0.87 LRRK2 (0.34) LRRK2SYK
SCHEMBL30205610 0.87 LRRK2 (0.34) LRRK2SYK
SCHEMBL29173323 0.87 LRRK2 (0.34) LRRK2SYK

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
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