SCHEMBL11000112

SCHEMBL11000112

CCNc1nc(C)c(-c2ccc(N)c(N)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.40
▸ AURKA O14965 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CDK7 P50613 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PIK3CD O00329 6/20 0.38

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
SCHEMBL11160835 0.84 KMT2A (0.42) CDK2AURKACDK9AURKBCDK1
SCHEMBL11916726 0.76 KMT2A (0.44) CDK2AURKACDK9AURKBCDK1
SCHEMBL10665450 0.76 KMT2A (0.55) CDK2AURKACDK9AURKBCDK1
SCHEMBL11010419 0.72 CCNA2 (0.55) CDK2CDK9ALDH1A1GAAMAPT
SCHEMBL11320328 0.72 JAK2 (0.40) CDK2ALDH1A1GAAMAPTRAB9A
SCHEMBL11151624 0.71 RIPK1 (0.49) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL4154285 0.70 CDK2 (0.62) CDK2AURKACDK9AURKBCDK1
SCHEMBL6163005 0.70 ALDH1A1 (0.46) CDK2AURKACDK9AURKBCDK1
SCHEMBL5504239 0.67 POLB (0.45) CDK2ALDH1A1GAAMAPTRAB9A
SCHEMBL48462 0.67 PIK3CG (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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
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
EP-0008047-A1 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) 1980-02-20 — — EP disclosed
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