SCHEMBL7547227

SCHEMBL7547227

CN1CCN(CCCn2cc(-c3cncc(-c4ccccc4)c3)c3ncccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.60
FLT1 P17948 4/20 0.60
FLT4 P35916 4/20 0.60
GSK3B P49841 6/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
QPCT Q16769 2/20 0.40
NFATC1 O95644 1/20 0.39
DYRK1A Q13627 1/20 0.39
FGFR1 P11362 1/20 0.38

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
SCHEMBL7551949 0.91 KDR (0.55) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7556924 0.91 KDR (0.59) KDRFLT1FLT4GSK3BPRKCB
SCHEMBL7990841 0.90 KDR (0.54) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7551398 0.90 KDR (0.54) KDRFLT1FLT4GSK3BNPC1
SCHEMBL7549006 0.89 KDR (0.75) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7550710 0.88 KDR (0.52) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553410 0.85 KDR (0.80) KDRFLT1FLT4GSK3BPRKCB
SCHEMBL7548593 0.85 KDR (0.57) KDRFLT1FLT4GSK3B
SCHEMBL7987209 0.84 KDR (0.58) KDRFLT1FLT4GSK3BNPC1
SCHEMBL7548397 0.82 KDR (0.57) KDRFLT1FLT4GSK3BPRKCB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed