SCHEMBL31331682

SCHEMBL31331682

N#Cc1ccc(-c2nc3cc(N4CCC[C@H](N)C4)ccc3nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 16/20 0.52
▸ KIT P10721 1/20 0.41
▸ IDH2 P48735 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ HRH4 Q9H3N8 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
SCHEMBL31331989 0.94 KDM1A (0.48) KDM1AKITKIF11
SCHEMBL31331857 0.89 KDM1A (0.46) KDM1A
SCHEMBL31331816 0.88 KDM1A (0.54) KDM1AKIT
SCHEMBL31331889 0.87 KDM1A (0.52) KDM1A
SCHEMBL31331935 0.85 KDM1A (0.49) KDM1AKIT
SCHEMBL31331652 0.83 KDM1A (0.48) KDM1AKITHRH4
SCHEMBL31331761 0.82 KDM1A (0.49) KDM1AKIT
SCHEMBL31331740 0.81 KDM1A (0.54) KDM1AKIT
SCHEMBL31331861 0.81 KDM1A (0.54) KDM1AKIT
SCHEMBL31331786 0.79 KDM1A (0.55) KDM1AKIT

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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