SCHEMBL3027244

SCHEMBL3027244

Nc1nc(N)c2ncn(-c3ccc4[nH]ncc4c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.59
ROCK2 O75116 7/20 0.43
ROCK1 Q13464 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 7/20 0.39
GSK3B P49841 6/20 0.39
CFTR P13569 1/20 0.39
CDK1 P06493 3/20 0.39
CDK2 P24941 3/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39

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
SCHEMBL3032900 0.90 MAPKAPK2 (0.47) MAPKAPK2KDM4EMEN1MAPTKMT2A
SCHEMBL2411704 0.81 MAPKAPK2 (0.67) MAPKAPK2ROCK2ROCK1KDM4EMEN1
SCHEMBL27870411 0.73 CFTR (0.49) CFTRCDK1CDK2CCNB1CCNE1
SCHEMBL27886646 0.73 CFTR (0.49) MEN1KMT2ACFTRCDK1CDK2
SCHEMBL27870413 0.73 XDH (0.58) MEN1KMT2ACFTRCDK1CDK2
SCHEMBL27886637 0.72 PI4KA (0.64) CFTRCDK1CDK2CCNB1CCNE1
SCHEMBL28960375 0.71 XDH (0.62) KDM4ERAB9ACDK1CDK2CCNB1
SCHEMBL2435424 0.71 MAPKAPK2 (0.48) MAPKAPK2ROCK2ROCK1KDM4EMEN1
SCHEMBL3043474 0.71 CFTR (0.38) CFTRCDK1CDK2CCNB1CCNE1
SCHEMBL28230093 0.70 CDK1 (0.48) MEN1KMT2ACFTRCDK1CDK2

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed