SCHEMBL6319989

SCHEMBL6319989

CC(c1ccccc1)N(C)c1nc(NO)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
INSR P06213 4/20 0.63
TEK Q02763 4/20 0.63
PDGFRB P09619 3/20 0.63
PDGFRA P16234 3/20 0.63
CSF1R P07333 2/20 0.63
SYK P43405 2/20 0.46
CFTR P13569 1/20 0.44
IKBKB O14920 5/20 0.44
IRAK4 Q9NWZ3 2/20 0.40
MAP4K1 Q92918 1/20 0.40
TOP2A P11388 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL6397207 0.90 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6313512 0.90 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6313522 0.90 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL28121258 0.78 KDR (0.48) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6401617 0.78 CFTR (0.49) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6321943 0.78 CFTR (0.49) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6321949 0.78 CFTR (0.49) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6393446 0.78 KDR (1.00) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6394114 0.76 KDR (0.57) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6399896 0.76 KDR (0.57) KDRINSRTEKPDGFRBPDGFRA

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-1549645-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, Inc. (US) 2005-07-06 EP claimed
WO-2004031184-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. (US) 2004-04-15 WO claimed