SCHEMBL31492103

SCHEMBL31492103

CC(=O)Nc1cc(C#N)cc2c1CCN2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 5/20 0.38
▸ NUDT1 P36639 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ FASN P49327 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL21903966 1.00 GPR35 (0.38) GPR35NUDT1ALDH1A1DYRK1AHTT
SCHEMBL1613412 0.79 ALDH1A1 (0.37) NUDT1ALDH1A1DYRK1AHTTGSK3B
SCHEMBL29497257 0.73 LATS1 (0.32) —
SCHEMBL21903872 0.72 KDM1A (0.33) ALDH1A1KDM1A
SCHEMBL21903886 0.71 AR (0.36) GPR35ALDH1A1GSK3B
SCHEMBL14025078 0.69 POLB (0.53) ALDH1A1DYRK1AMEN1KMT2AKDM1A
SCHEMBL11172727 0.69 ALDH1A1 (0.49) GPR35ALDH1A1DYRK1AHTTMEN1
SCHEMBL21903939 0.69 XDH (0.46) GPR35DYRK1AKDM1AIDO1
SCHEMBL31492077 0.69 XDH (0.46) GPR35DYRK1AKDM1AIDO1
SCHEMBL28601707 0.66 XDH (0.46) GPR35ALDH1A1DYRK1AKDM1AIDO1

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
CN-113227054-B ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2025-04-11 — — CN disclosed
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