SCHEMBL31331766

SCHEMBL31331766

Cc1ccc(-c2nc3ccc(N4CCNC(N)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 15/20 0.46
▸ KIT P10721 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL31331734 0.90 KDM4E (0.41) KDM1AKITHRH4HRH3KDM4E
SCHEMBL31331727 0.89 KDM1A (0.44) KDM1AKITKDM4EALDH1A1GAA
SCHEMBL31331740 0.86 KDM1A (0.54) KDM1AKIT
SCHEMBL31331861 0.86 KDM1A (0.54) KDM1AKIT
SCHEMBL31331889 0.84 KDM1A (0.52) KDM1A
SCHEMBL31331955 0.80 KDM1A (0.38) KDM1AKDM4EALDH1A1GAAMAPT
SCHEMBL31331652 0.76 KDM1A (0.48) KDM1AKITHRH4KDM4E
SCHEMBL31331786 0.75 KDM1A (0.55) KDM1AKITHRH3KDM4EALDH1A1
SCHEMBL31331857 0.74 KDM1A (0.46) KDM1AKDM4E
SCHEMBL31331935 0.74 KDM1A (0.49) KDM1AKITKDM4EALDH1A1MAPT

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-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN claimed
CN-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN disclosed
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