SCHEMBL6016932

SCHEMBL6016932

FCOc1cccc(Nc2nc(NCCCn3ccnc3)nc(NC3CCCCCC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.44
GALR1 P47211 3/20 0.44
EGFR P00533 3/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
QPCT Q16769 2/20 0.42
ITK Q08881 1/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 1/20 0.40
CACNA1B Q00975 2/20 0.40
SOD1 P00441 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL4837784 0.81 CYP19A1 (0.49) GALR2GALR1QPCTSMN1; SMN2TLR9
SCHEMBL5549956 0.80 EGFR (0.42) GALR1EGFRABL1BCRSRC
SCHEMBL6016937 0.77 QPCT (0.46) GALR2GALR1QPCTSCN9ATLR9
SCHEMBL5549907 0.72 VNN1 (0.42) GALR2GALR1
SCHEMBL5555642 0.71 GALR2 (0.42) GALR2GALR1EGFRITK
SCHEMBL1391873 0.70 LMNA (0.45) EGFRMAPTSOD1
SCHEMBL13938872 0.70 MAPK14 (0.51)
SCHEMBL3291713 0.68 GALR2 (0.67) GALR2GALR1
SCHEMBL5550957 0.67 EHMT2 (0.48) GALR2GALR1SRCMAPTSMN1; SMN2
SCHEMBL13326014 0.66 GALR2 (0.67) GALR2GALR1MAPTSMN1; SMN2

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-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed