SCHEMBL6614917

SCHEMBL6614917

CC(C)(C)n1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c(C(N)=O)c1N.CC(C)(C)n1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C(N)=O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.51
RIPK1 Q13546 2/20 0.48
KDR P35968 8/20 0.45
SRC P12931 3/20 0.45
PDGFRB P09619 1/20 0.44
EPHA3 P29320 1/20 0.44
EPHB4 P54760 1/20 0.44
CSNK1E P49674 1/20 0.43
FLT1 P17948 5/20 0.43
TEK Q02763 2/20 0.43
LCK P06239 3/20 0.42
LYN P07948 3/20 0.42
KIT P10721 3/20 0.42
FLT4 P35916 3/20 0.42
BLK P51451 3/20 0.42
FYN P06241 2/20 0.42
CSF1R P07333 2/20 0.42
FLT3 P36888 2/20 0.42
DYRK3 O43781 2/20 0.42
ROCK2 O75116 2/20 0.42

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
SCHEMBL4262663 0.91 RIPK2 (0.58) RIPK2RIPK1KDRSRCCSNK1E
SCHEMBL4260556 0.91 RIPK2 (0.53) RIPK2KDRSRCPDGFRBEPHA3
SCHEMBL4260583 0.88 KDR (0.55) RIPK2RIPK1KDRSRCPDGFRB
SCHEMBL6614602 0.87 RIPK2 (0.50) RIPK2RIPK1KDRSRCPDGFRB
SCHEMBL4258858 0.82 RET (0.55) RIPK1KDRSRCPDGFRBFLT1
SCHEMBL4257250 0.81 KDR (0.50) KDRSRCPDGFRBEPHA3EPHB4
SCHEMBL4257211 0.81 RIPK1 (0.53) RIPK2RIPK1KDRPDGFRBCSNK1E
SCHEMBL6602055 0.81 MEN1 (0.53) RIPK1KDRSRCPDGFRBFLT1
SCHEMBL4257460 0.81 RIPK2 (0.62) RIPK2KDRSRCPDGFRBLCK
SCHEMBL4255774 0.80 RIPK2 (0.59) RIPK2KDRSRCPDGFRBFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP claimed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed