SCHEMBL7023637

SCHEMBL7023637

CC(C)(C)OC(=O)N1CCCC1COc1cc(NC(=O)c2cccnc2NCc2ccc(F)cc2)ccc1C(F)(F)C(F)(F)F.O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.38
PDPK1 O15530 1/20 0.38
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 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
SCHEMBL6105874 0.94 KDR (0.42) KDRPDPK1CTNNB1TCF7L2CIT
SCHEMBL6104364 0.94 KDR (0.42) KDRPDPK1CTNNB1TCF7L2CIT
SCHEMBL6104030 0.89 KDR (0.46) KDRPDPK1CITMAP3K7RIPK2
SCHEMBL6106380 0.89 KDR (0.46) KDRPDPK1CITMAP3K7RIPK2
SCHEMBL444629 0.89 KDR (0.49) KDRCITMAP3K7RIPK2STK10
SCHEMBL446808 0.89 KDR (0.49) KDRCITMAP3K7RIPK2STK10
SCHEMBL7159530 0.89 KDR (0.49) KDRCITMAP3K7RIPK2STK10
SCHEMBL6104937 0.89 PDPK1 (0.44) KDRPDPK1CTNNB1TCF7L2CIT
SCHEMBL6106169 0.84 PDPK1 (0.47) KDRPDPK1CITMAP3K7RIPK2
SCHEMBL6106136 0.84 PDPK1 (0.47) KDRPDPK1CITMAP3K7RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed