SCHEMBL27902091

SCHEMBL27902091

Cc1cncc(-c2cc(-c3ccc(C[SH](=O)=O)cc3)cnc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 6/20 0.48
▸ MAP4K4 O95819 5/20 0.46
▸ LRRK2 Q5S007 5/20 0.44
▸ USP7 Q93009 2/20 0.43
▸ CHEK2 O96017 2/20 0.41
▸ MINK1 Q8N4C8 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL27885050 0.87 MAP4K4 (0.60) FYNMAP4K4LRRK2USP7CHEK2
SCHEMBL28051403 0.86 USP7 (0.57) FYNMAP4K4USP7CHEK2MINK1
SCHEMBL27902105 0.85 USP7 (0.47) FYNMAP4K4USP7CHEK2MINK1
SCHEMBL27902088 0.84 FYN (0.54) FYNMAP4K4LRRK2USP7CHEK2
SCHEMBL27885129 0.82 MAP4K4 (0.52) FYNMAP4K4USP7CHEK2MINK1
SCHEMBL27902085 0.81 CHEK2 (0.59) FYNMAP4K4USP7CHEK2MKNK1
SCHEMBL27885119 0.80 USP7 (0.70) FYNMAP4K4USP7CHEK2MINK1
SCHEMBL27885062 0.80 USP7 (0.50) FYNMAP4K4USP7CHEK2MINK1
SCHEMBL27902092 0.79 MAP4K4 (0.62) FYNMAP4K4LRRK2CHEK2
SCHEMBL28800238 0.78 KCNH2 (0.63) FYNMAP4K4USP7CHEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 — — CN claimed
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 — — CN disclosed
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