SCHEMBL30367148

SCHEMBL30367148

COc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(C)CC4)c3)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 8/20 0.59
▸ MAPT P10636 1/20 0.55
▸ TSHR P16473 1/20 0.47
▸ ROCK1 Q13464 6/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ PRKACA P17612 4/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL30366861 0.92 MAPT (0.58) WNT3AMAPTTSHRROCK1CCNA2
SCHEMBL31050200 0.92 WNT3A (0.57) WNT3AMAPTTSHRROCK1CCNA2
SCHEMBL30367112 0.90 WNT3A (0.60) WNT3AROCK1CYP3A4PRKACAROCK2
SCHEMBL30367057 0.89 WNT3A (0.57) WNT3A
SCHEMBL30367065 0.85 WNT3A (0.66) WNT3A
SCHEMBL30366865 0.84 RXRA (0.56) MAPTTSHRROCK1CCNA2CDK2
SCHEMBL30366840 0.82 TRPV1 (0.50) WNT3AMAPTROCK1PRKACA
SCHEMBL30366978 0.81 WNT3A (0.56) WNT3A
SCHEMBL30367152 0.80 WNT3A (0.54) WNT3A
SCHEMBL30367160 0.78 WNT3A (0.59) WNT3A

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-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 — — CN disclosed
CN-116082310-A Bipyridine amide derivative, and preparation and application thereof 厦门大学 2023-05-09 — — CN disclosed
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