SCHEMBL7987168

SCHEMBL7987168

Clc1ccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccnc34)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
FLT1 P17948 3/20 0.54
FLT4 P35916 3/20 0.54
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
GSK3B P49841 5/20 0.39
CHRNA7 P36544 2/20 0.39
NFATC1 O95644 1/20 0.38
DYRK1A Q13627 1/20 0.38
NPY1R P25929 1/20 0.38
QPCT Q16769 2/20 0.38
MAPK14 Q16539 1/20 0.38
MCHR1 Q99705 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL7555532 0.94 KDR (0.52) KDRFLT1FLT4SCN2ASCN10A
SCHEMBL7551949 0.91 KDR (0.55) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7556924 0.91 KDR (0.59) KDRFLT1FLT4GSK3BCHRNA7
SCHEMBL7551303 0.91 KDR (0.52) KDRFLT1FLT4GSK3BMAPK14
SCHEMBL7986889 0.88 KDR (0.51) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554499 0.85 KDR (0.53) KDRFLT1FLT4SCN2ASCN10A
SCHEMBL7552691 0.85 KDR (0.72) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7548593 0.85 KDR (0.57) KDRFLT1FLT4GSK3BCHRNA7
SCHEMBL7990489 0.85 KDR (0.75) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7988086 0.85 KDR (0.51) KDRFLT1FLT4MAPK14

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-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed