SCHEMBL5029338

SCHEMBL5029338

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2cnc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.40
ENO1 P06733 1/20 0.34
PIK3CA P42336 9/20 0.33
PIK3R1 P27986 4/20 0.33
CDK2 P24941 4/20 0.33
CCNA2 P20248 3/20 0.33
CCNA1 P78396 3/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNB2 O95067 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
PRKCQ Q04759 2/20 0.32
MTOR P42345 2/20 0.32
CHEK1 O14757 1/20 0.31
PTK2 Q05397 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL5029046 0.89 GALR1 (0.41) GALR1ENO1PIK3CAPIK3R1PRKCQ
SCHEMBL5553434 0.88 BCL6 (0.37) GALR1
SCHEMBL5036365 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL6013860 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL6013830 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL4836390 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL4837841 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL4839616 0.87 GALR1 (0.55) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL5029188 0.86 GALR1 (0.53) GALR1ENO1CDK2CDK1CCNB1
SCHEMBL4839078 0.85 RPS6KA6 (0.38) GALR1ENO1

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
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed