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Sugi Predict / Compounds / SCHEMBL24943793

SCHEMBL24943793

SCHEMBL24943793

CNc1nc(Nc2cc(C)c(N3CCOCC3)cc2F)c(C(N)O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPK9 P45984 2/20 0.31
▸ MAPK10 P53779 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.30
▸ PRKDC P78527 2/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL24943794 0.87 RET (0.38) LRRK2MAPK9MAPK10LCKIRAK4
SCHEMBL30206248 0.85 LRRK2 (0.37) LRRK2MAPK9MAPK10IRAK4
SCHEMBL29173569 0.85 LRRK2 (0.37) LRRK2MAPK9MAPK10IRAK4
SCHEMBL24944973 0.79 CCNT1 (0.33) LRRK2
SCHEMBL24944164 0.76 RET (0.36) LRRK2MAPK9MAPK10LCKIRAK4
SCHEMBL30205760 0.75 EML4 (0.47) MAPK9MAPK10IRAK4SYK
SCHEMBL24944157 0.75 EML4 (0.47) MAPK9MAPK10IRAK4SYK
SCHEMBL24944442 0.75 RET (0.37) LRRK2MAPK9MAPK10LCKIRAK4
SCHEMBL24944367 0.75 MAPK9 (0.48) LRRK2MAPK9MAPK10LCKIRAK4
SCHEMBL30205517 0.75 MAPK9 (0.48) LRRK2MAPK9MAPK10LCKIRAK4

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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