SCHEMBL10955467

SCHEMBL10955467

CCCCNc1nc(C)c(C(=O)c2ccc(N)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.65
▸ GSK3A P49840 1/20 0.65
▸ GSK3B P49841 1/20 0.65
▸ CDK9 P50750 1/20 0.65
▸ LIMK1 P53667 1/20 0.65
▸ CDK5 Q00535 1/20 0.65
▸ DYRK1A Q13627 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ DYRK1B Q9Y463 1/20 0.65
▸ CCNA2 P20248 5/20 0.55
▸ CDK2 P24941 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK14 Q16539 2/20 0.46

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
SCHEMBL10957090 0.87 CLK2 (0.58) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10954333 0.81 CLK2 (0.52) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10956535 0.78 CLK2 (0.48) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10958069 0.77 MAPT (0.56) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL11010419 0.74 CCNA2 (0.55) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL10954761 0.74 ALDH1A1 (0.55) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL18411106 0.71 CDK5 (0.65) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL5570000 0.71 NPC1 (0.48) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL4800949 0.70 ALDH1A1 (0.49) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL11436301 0.70 ADORA2A (0.45) CCNA2CDK2ALDH1A1MEN1KMT2A

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
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
Send feedback