SCHEMBL14300192

SCHEMBL14300192

O=C1CCCC1CNc1nc(NCC2CCCCC2)nc(Nc2ccc(O)c(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.43
TNK2 Q07912 1/20 0.42
ENO1 P06733 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.40
SOS1 Q07889 2/20 0.39
KCNH3 Q9ULD8 3/20 0.36
IDH1 O75874 3/20 0.35
S1PR1 P21453 2/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PTGS2 P35354 1/20 0.34
RPS6KA3 P51812 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL4836455 0.86 GALR1 (0.61) GALR1ENO1SOS1KDM4C
SCHEMBL14300477 0.83 GALR1 (0.49) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL14302322 0.83 GALR1 (0.47) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL14300024 0.83 GALR1 (0.47) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL5552474 0.82 GALR1 (0.41) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL4829031 0.81 GALR1 (0.42) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL14300339 0.80 GALR1 (0.44) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL14300191 0.79 GALR1 (0.46) GALR1TNK2ENO1RPS6KA6SOS1
SCHEMBL14302462 0.79 TNK2 (0.64) GALR1TNK2KCNH3
SCHEMBL14300025 0.79 GALR1 (0.44) GALR1TNK2ENO1RPS6KA6SOS1

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