SCHEMBL6664682

SCHEMBL6664682

CN(c1ccnc(Cl)c1)c1ccc2c(c1)nc(N(C(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1)n2C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.37
RAF1 P04049 4/20 0.37
LCK P06239 2/20 0.33
FYN P06241 2/20 0.33
PDGFRB P09619 2/20 0.33
KIT P10721 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
SRC P12931 1/20 0.33
CCR9 P51686 2/20 0.32
RORC P51449 1/20 0.31
GCGR P47871 1/20 0.31
MT-CO2 P00403 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4978637 0.88 KDR (0.35) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4976646 0.81 KDR (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4983374 0.80 BRAF (0.44) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4978649 0.80 BRD4 (0.35) BRAFRAF1RORCGCGRMT-CO2
SCHEMBL4978772 0.80 KDR (0.37) RAF1PDGFRBKITFLT1FLT4
SCHEMBL4980540 0.79 MAPK14 (0.35) KITKDRGCGRMT-CO2CYP3A4
SCHEMBL4978572 0.79 MAPK14 (0.37) LCKKITKDRSRCGCGR
SCHEMBL14274187 0.78 KDR (0.34) PDGFRBKITFLT1FLT4KDR
SCHEMBL4978634 0.78 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4978681 0.77 MAPT (0.41)

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-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed