SCHEMBL29216479

SCHEMBL29216479

N#Cc1nc2cc(C#N)c(C#N)cc2[nH]1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.54
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA3 P42263 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ GRM6 O15303 1/20 0.34
▸ RHEB Q15382 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ PKN1 Q16512 1/20 0.31

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
SCHEMBL29935431 0.98 PSMB8 (0.56) PSMB8CSNK1DCSNK1G2GRIA1GRIA2
Lithium SCHEMBL30899067 0.96 PSMB8 (0.54) PSMB8CSNK1DCSNK1G2GRIA1GRIA2
Lithium Ion SCHEMBL29942329 0.96 PSMB8 (0.54) PSMB8CSNK1DCSNK1G2GRIA1GRIA2
SCHEMBL10627035 0.77 PSMB8 (0.64) PSMB8GRIA1GRIA2GRIA3GRIA4
SCHEMBL28847079 0.75 KDM4E (0.53) CSNK1DCSNK1G2ALDH1A1KDM4EHTT
SCHEMBL29935405 0.73 KDM4E (0.54) CSNK1DCSNK1G2ALDH1A1KDM4EHTT
SCHEMBL28847044 0.73 AR (0.43) CSNK1DCSNK1G2ALDH1A1KDM4EMAPT
Lithium Ion SCHEMBL29942256 0.72 KDM4E (0.53) CSNK1DCSNK1G2ALDH1A1KDM4EHTT
Lithium SCHEMBL31238632 0.72 KDM4E (0.53) CSNK1DCSNK1G2ALDH1A1KDM4EHTT
SCHEMBL29935634 0.70 AR (0.44) CSNK1DCSNK1G2ALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117976985-B Secondary battery and electronic device 宁德新能源科技有限公司 2024-07-16 — — CN claimed
CN-117976985-A Secondary battery and electronic device 宁德新能源科技有限公司 2024-05-03 — — CN claimed
CN-118054086-A Nonaqueous electrolyte, lithium ion battery and electronic device 宁德新能源科技有限公司 2024-05-17 — — CN disclosed
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