SCHEMBL3043474

SCHEMBL3043474

Nc1nc(N)c2ncn(-c3ccc4c(c3)NCC4)c2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
XDH P47989 7/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
PI4KA P42356 7/20 0.36
PI4K2B Q8TCG2 7/20 0.36
PI4K2A Q9BTU6 7/20 0.36
PI4KB Q9UBF8 7/20 0.36
DHFR P00374 1/20 0.35
ADORA2A P29274 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL31144604 0.72 DYRK1A (0.38)
SCHEMBL27870413 0.71 XDH (0.58) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL27870411 0.71 CFTR (0.49) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL27886646 0.71 CFTR (0.49) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL3027244 0.71 MAPKAPK2 (0.59) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL3032900 0.71 MAPKAPK2 (0.47) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL27886637 0.70 PI4KA (0.64) CFTRXDHCDK1CCNB1CCNE1
SCHEMBL1165308 0.70 DYRK1A (0.36)
SCHEMBL28960375 0.69 XDH (0.62) XDHCDK1CCNB1CCNE1CDK2
SCHEMBL28230093 0.69 CDK1 (0.48) CFTRXDHCDK1CCNB1CCNE1

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