SCHEMBL10956535

SCHEMBL10956535

CCCCCNc1nc(C)c(C(=O)c2ccc(N)c([N+](=O)[O-])c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ LIMK1 P53667 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ HCAR3 P49019 2/20 0.47
▸ RIPK1 Q13546 2/20 0.46
▸ CCNA2 P20248 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL10954333 0.97 CLK2 (0.52) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL11008126 0.89 CCNA2 (0.48) CDK5HCAR3CCNA2CDK2MAPT
SCHEMBL10954761 0.89 ALDH1A1 (0.55) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10958069 0.85 MAPT (0.56) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10956678 0.84 CCNA2 (0.44) CCNA2CDK2MAPTALDH1A1LMNA
SCHEMBL10957090 0.84 CLK2 (0.58) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10960186 0.84 ALDH1A1 (0.56) CDK5CCNA2CDK2MAPTALDH1A1
SCHEMBL10957323 0.83 CDK2 (0.63) LIMK1HCAR3CCNA2CDK2MAPT
SCHEMBL11151624 0.80 RIPK1 (0.49) HCAR3RIPK1MAPTALDH1A1TDP1
SCHEMBL10953264 0.79 MAPT (0.63) GSK3AGSK3BCDK5CCNA2CDK2

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
EP-0008047-B1 5(6)-(2-AMINO-5-THIAZOLOYL)BENZIMIDAZOLE-2-CARBAMIC ACID ESTERS AND THEIR SALTS, THEIR PREPARATION AND USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1985-12-04 — — EP disclosed
US-4386097-A Benzimidazoles, processes for their preparation and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1983-05-31 — — US disclosed
US-4297365-A Benzimidazoles and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1981-10-27 — — US disclosed
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