SCHEMBL31331861

SCHEMBL31331861

Cc1ccc(-c2nc3ccc(N4CC[C@@H](N)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 17/20 0.54
▸ KIT P10721 1/20 0.43
▸ SSTR2 P30874 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41

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
SCHEMBL31331740 1.00 KDM1A (0.54) KDM1AKITSSTR2KCNH2SUV39H2
SCHEMBL31331889 0.94 KDM1A (0.52) KDM1AKCNH2
SCHEMBL31331652 0.90 KDM1A (0.48) KDM1AKITSSTR2
SCHEMBL31331786 0.89 KDM1A (0.55) KDM1AKITSUV39H2
SCHEMBL31331989 0.87 KDM1A (0.48) KDM1AKITSSTR2KCNH2
SCHEMBL31331766 0.86 KDM1A (0.46) KDM1AKIT
SCHEMBL31331761 0.84 KDM1A (0.49) KDM1AKITSSTR2
SCHEMBL31331857 0.84 KDM1A (0.46) KDM1ASSTR2
SCHEMBL31331935 0.83 KDM1A (0.49) KDM1AKIT
SCHEMBL31331682 0.81 KDM1A (0.52) 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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