SCHEMBL6401060

SCHEMBL6401060

c1ccc(CN(CCN2CCNCC2)c2ncnc(Nc3ccc4ncsc4c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.48
INSR P06213 3/20 0.48
TEK Q02763 3/20 0.48
CSF1R P07333 2/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
IKBKB O14920 9/20 0.44
CHUK O15111 5/20 0.44
SYK P43405 1/20 0.41
CFTR P13569 1/20 0.40
DYRK2 Q92630 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL6724072 0.88 KDR (0.49) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6402149 0.80 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6401975 0.78 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6394323 0.76 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6313981 0.75 KDR (0.45) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6729223 0.71 KDR (0.57) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6404350 0.71 KDR (0.54) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6728908 0.71 KDR (0.54) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6396399 0.70 IKBKB (0.39) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6399454 0.70 KDR (0.65) KDRINSRTEKCSF1RPDGFRB

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