SCHEMBL7874482

SCHEMBL7874482

CCCC(CCC)NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.41
CCNA2 P20248 8/20 0.41
CDK2 P24941 8/20 0.41
CCNA1 P78396 8/20 0.41
TRPV3 Q8NET8 2/20 0.37
NPC1 O15118 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SRC P12931 3/20 0.33
ABL1 P00519 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
KDR P35968 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL7880988 0.81 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL10235313 0.80 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL10235009 0.80 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL7879289 0.79 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL7874701 0.79 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL7879112 0.79 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL7883682 0.79 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL10235008 0.78 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL7879813 0.77 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL7874811 0.77 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1KDR

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed