SCHEMBL27464786

SCHEMBL27464786

Nc1ccc(-c2nc(N)c(C(=O)c3cccc(N)c3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.51
CDK2 P24941 7/20 0.51
CDK5 Q00535 7/20 0.50
CDK5R1 Q15078 7/20 0.50
PBRM1 Q86U86 1/20 0.46
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 3/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NFKB1 P19838 2/20 0.45
GFER P55789 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MITF O75030 2/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 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
SCHEMBL27609557 0.88 CDK5 (0.58) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27609672 0.87 CCNA2 (0.56) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27741436 0.86 CDK5 (0.60) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27477020 0.86 NPC1 (0.51) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27478332 0.84 CCNA2 (0.61) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL27591223 0.82 CDK5 (0.58) CCNA2CDK2CDK5CDK5R1LMNA
SCHEMBL27591220 0.81 SRD5A2 (0.52) CCNA2CDK2CDK5CDK5R1KDM4E
SCHEMBL27591227 0.81 CDC7 (0.53) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27609568 0.80 CCNA2 (0.53) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL27762075 0.77 MEN1 (0.58) CCNA2CDK2CDK5CDK5R1NPC1

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-1158269-C 4-aminothiazole derivs, their preparation and their use as inhibitors of cyclin-dependent kinases ������ҩ�����޹�˾ 2004-07-21 CN disclosed
CN-1276789-A 4-aminothiazole derivatives, their preparation and their use as inhibitors of cyclin dependent kinases AGOURON PHARMA (US) 2000-12-13 CN disclosed