SCHEMBL24944755

SCHEMBL24944755

CNc1nc(Nc2ccc(N3CC4CC3CO4)cc2F)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.37
▸ FPR2 P25090 3/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ MTOR P42345 1/20 0.33
▸ ALK Q9UM73 3/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PTK2 Q05397 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EML4 Q9HC35 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ ABCB11 O95342 1/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ AXL P30530 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
SCHEMBL24944753 1.00 LRRK2 (0.37) LRRK2FPR2RIPK1MTORALK
SCHEMBL30205484 1.00 LRRK2 (0.37) LRRK2FPR2RIPK1MTORALK
SCHEMBL30206116 0.93 LRRK2 (0.39) LRRK2FPR2RIPK1MTORALK
SCHEMBL30206231 0.90 LRRK2 (0.35) LRRK2FPR2MTORSYK
SCHEMBL24944379 0.90 LRRK2 (0.35) LRRK2FPR2MTORSYK
SCHEMBL24944380 0.90 LRRK2 (0.35) LRRK2FPR2MTORSYK
SCHEMBL24944958 0.89 ATM (0.36) LRRK2ALKATMEML4SYK
SCHEMBL24943820 0.89 ATM (0.36) LRRK2ALKATMEML4SYK
SCHEMBL24944962 0.89 ATM (0.36) LRRK2ALKATMEML4SYK
SCHEMBL24944439 0.88 FPR2 (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
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