SCHEMBL31207234

SCHEMBL31207234

O=C(Cc1ccc(-c2ccccn2)cc1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 8/20 0.77
▸ CDK2 P24941 8/20 0.77
▸ CDK5 Q00535 8/20 0.77
▸ WNT3A P56704 4/20 0.69
▸ ACP1 P24666 1/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KDR P35968 1/20 0.54
▸ CCNT1 O60563 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CDK4 P11802 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CCND1 P24385 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CCNH P51946 1/20 0.54

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
SCHEMBL31207127 0.86 WNT3A (0.57) CCNE1CDK2CDK5WNT3AMEN1
SCHEMBL31206994 0.85 CCNE1 (0.73) CCNE1CDK2CDK5WNT3AMEN1
SCHEMBL1726012 0.81 WNT3A (1.00) CCNE1CDK2CDK5WNT3A
SCHEMBL31207176 0.80 FFAR2 (0.64) WNT3AMEN1SLC6A2SLC6A3KMT2A
SCHEMBL69753 0.77 CCNE1 (0.74) CCNE1CDK2CDK5WNT3AACP1
SCHEMBL5835975 0.76 CCNE1 (0.86) CCNE1CDK2CDK5WNT3AMEN1
SCHEMBL6251182 0.75 KDR (0.74) CCNE1CDK2CDK5ACP1KDR
SCHEMBL6249556 0.75 CDK5 (0.70) CCNE1CDK2CDK5WNT3AACP1
SCHEMBL1177357 0.74 WNT3A (0.54) WNT3AMEN1SLC6A2SLC6A3KMT2A
SCHEMBL15962310 0.74 CA12 (0.65) WNT3AMEN1KMT2AALDH1A1

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-118955493-A Novel CCNK molecular gel degradation agent, preparation method thereof and application thereof as medicine 广东药科大学 2024-11-15 — — CN disclosed
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