SCHEMBL5227201

SCHEMBL5227201

Cn1c(NC(=O)O)nc2cc(Nc3ccnc(Cl)n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.48
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAF1 P04049 1/20 0.40

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
SCHEMBL4980450 0.86 BRAF (0.46) BRAFLCKFYNPDGFRBKIT
SCHEMBL588578 0.83 RAB9A (0.52) NPC1RAB9AMAPTPOLBTP53
SCHEMBL14263278 0.80 CDC7 (0.47) BRAFNPC1RAB9AKDR
SCHEMBL5228478 0.80 NPC1 (0.41) BRAFNPC1RAB9AMAPTPOLB
SCHEMBL5225357 0.80 NPC1 (0.40) BRAFNPC1RAB9ALCKFYN
SCHEMBL15473901 0.80 RHEB (0.42) NPC1RAB9APOLBTP53SMN1; SMN2
SCHEMBL17745103 0.77 KDM4E (0.47) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5226590 0.77 GRM5 (0.38) BRAFNPC1RAB9AMAPTPOLB
SCHEMBL17260987 0.76 AURKA (0.50) BRAFNPC1RAB9AKITKDR
SCHEMBL5227351 0.76 KDR (0.44) BRAFNPC1RAB9APDGFRBKIT

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
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed