SCHEMBL29869062

SCHEMBL29869062

CN1CCc2[nH]c(=O)c(Nc3ncc(Cl)c(Nc4ccccc4OC(F)F)n3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.54
▸ ALK Q9UM73 6/20 0.54
▸ MAP4K1 Q92918 12/20 0.53
▸ MAPK3 P27361 1/20 0.48
▸ MET P08581 2/20 0.47

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
SCHEMBL24716358 1.00 LRRK2 (0.54) LRRK2ALKMAP4K1MAPK3MET
SCHEMBL24715922 0.89 MAP4K1 (0.62) ALKMAP4K1MET
SCHEMBL24716030 0.86 LRRK2 (0.56) LRRK2ALKMAP4K1MAPK3
SCHEMBL24716363 0.85 MAP4K1 (0.61) ALKMAP4K1MET
SCHEMBL24715919 0.85 MAP4K1 (0.53) ALKMAP4K1MET
SCHEMBL24716041 0.84 LRRK2 (0.56) LRRK2ALKMAP4K1MET
SCHEMBL29102658 0.84 MAP4K1 (0.52) ALKMAP4K1MET
SCHEMBL24716009 0.83 MAP4K1 (0.52) ALKMAP4K1MET
SCHEMBL29869279 0.83 MAP4K1 (0.52) ALKMAP4K1MET
SCHEMBL24716376 0.83 MAP4K1 (0.61) ALKMAP4K1MET

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-2022214008-A1 HIGHLY ACTIVE HPK1 KINASE INHIBITOR 杭州阿诺生物医药科技有限公司 2022-10-13 — — WO disclosed
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