SCHEMBL31331857

SCHEMBL31331857

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 15/20 0.46
▸ DPP4 P27487 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ PGR P06401 1/20 0.40

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
SCHEMBL31331652 0.94 KDM1A (0.48) KDM1AKDM4ETP53SSTR2PGR
SCHEMBL31331889 0.90 KDM1A (0.52) KDM1A
SCHEMBL31331682 0.89 KDM1A (0.52) KDM1A
SCHEMBL31331935 0.87 KDM1A (0.49) KDM1ADPP4CYP3A4KDM4ETP53
SCHEMBL31331816 0.87 KDM1A (0.54) KDM1A
SCHEMBL31331734 0.84 KDM4E (0.41) KDM1ACYP3A4KDM4ETP53SSTR2
SCHEMBL31331861 0.84 KDM1A (0.54) KDM1ASSTR2
SCHEMBL31331740 0.84 KDM1A (0.54) KDM1ASSTR2
SCHEMBL31331989 0.83 KDM1A (0.48) KDM1ACYP3A4SSTR2
SCHEMBL31331786 0.81 KDM1A (0.55) KDM1AKDM4ETP53

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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