SCHEMBL31501759

SCHEMBL31501759

Clc1cc(Br)cnc1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.41
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMO Q99835 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL27042006 1.00 PLAU (0.41) PLAUNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL27070674 0.80 KMT2A (0.41) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL17729276 0.76 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL25256052 0.74 DYRK1A (0.37) PLAUSMN1; SMN2DYRK1AKDM4EALDH1A1
SCHEMBL31038454 0.74 DYRK1A (0.37) PLAUSMN1; SMN2DYRK1AKDM4EALDH1A1
SCHEMBL29818393 0.73 PTK2 (0.50) DYRK1APTK2
SCHEMBL25194689 0.73 PTK2 (0.50) DYRK1APTK2
SCHEMBL25296668 0.72 HSD17B10 (0.36) PLAUKMT2AMEN1NMT1RXFP1
SCHEMBL31038476 0.72 HSD17B10 (0.36) PLAUKMT2AMEN1NMT1RXFP1
SCHEMBL31501728 0.72 TRPV1 (0.39) NPC1RAB9ASMN1; SMN2MAPK1DYRK1A

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-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 — — CN disclosed
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