SCHEMBL27479142

SCHEMBL27479142

Nc1ccc(-c2nc(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
RAB9A P51151 2/20 0.53
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 1/20 0.44
APP P05067 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL27477020 0.88 NPC1 (0.51) CCNA2CDK2RAB9AGAAPOLB
SCHEMBL27478332 0.86 CCNA2 (0.61) CCNA2CDK2RAB9AGAAMGAM
SCHEMBL874739 0.83 RAB9A (0.71) CCNA2CDK2RAB9AGAAMGAM
SCHEMBL27609568 0.82 CCNA2 (0.53) CCNA2CDK2RAB9AGAAPOLB
SCHEMBL27609672 0.81 CCNA2 (0.56) CCNA2CDK2RAB9AGAAPOLB
SCHEMBL27591227 0.80 CDC7 (0.53) CCNA2CDK2RAB9AGAAPOLB
SCHEMBL27762075 0.80 MEN1 (0.58) CCNA2CDK2RAB9AMAPK1ALDH1A1
SCHEMBL9189648 0.76 LMNA (0.72) GAAPOLBMAPK1ALDH1A1KMT2A
SCHEMBL27464786 0.75 CCNA2 (0.51) CCNA2CDK2RAB9AGAAPOLB
SCHEMBL27591223 0.73 CDK5 (0.58) CCNA2CDK2LMNA

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