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Sugi Predict / Compounds / SCHEMBL31021983

SCHEMBL31021983

SCHEMBL31021983

Cc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(Cl)c(C4C[C@@H]5CN(C(=O)OC(C)(C)C)C[C@@H]5C4)cc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.35
▸ KCNK9 Q9NPC2 3/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ BTK Q06187 4/20 0.35
▸ WNT3A P56704 3/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ BUB1 O43683 1/20 0.32

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
SCHEMBL16619694 0.75 MAPK1 (0.50) —
SCHEMBL16619639 0.75 MAPK1 (0.47) USP30PDE10AJAK1JAK2
SCHEMBL16136845 0.73 MAPK1 (0.50) USP30
SCHEMBL16110704 0.73 MAPK1 (0.50) USP30
SCHEMBL31022081 0.73 CCNT1 (0.43) USP30BTKRBP4BUB1
SCHEMBL31021994 0.72 TDO2 (0.34) —
SCHEMBL14896333 0.70 MAPK1 (0.36) —
SCHEMBL3151816 0.69 WNT3A (0.40) USP30WNT3AJAK1JAK2BUB1
SCHEMBL9959710 0.69 KDM4E (0.38) —
SCHEMBL9987385 0.69 — —

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-2024158745-A1 INHIBITORS OF LRRK2 VANDERBILT UNIVERSITY (US) 2024-08-02 — — WO disclosed