SCHEMBL6533737

SCHEMBL6533737

O=C(O)CCCN(Cc1ccccc1)c1nc(O)nc(Nc2ccc3ncoc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHR1 P34998 4/20 0.37
INSR P06213 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
TGFBR1 P36897 1/20 0.34
RHOA P61586 1/20 0.34
PRKD1 Q15139 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ULK1 O75385 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6728908 0.83 KDR (0.54) CFTRCRHR1INSRCSF1RPDGFRB
SCHEMBL6394106 0.72 KDR (0.52) CFTRNPC1RAB9ACRHR1INSR
SCHEMBL6729223 0.70 KDR (0.57) CFTRCRHR1INSRCSF1RPDGFRB
SCHEMBL6404350 0.70 KDR (0.54) CFTRSMN1; SMN2CRHR1INSRCSF1R
SCHEMBL6392117 0.69 KDR (0.47) CFTRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6314654 0.69 TERT (0.59) NPC1CRHR1INSRCSF1RPDGFRB
SCHEMBL14557292 0.69 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2PPARDLMNA
SCHEMBL6399454 0.69 KDR (0.65) CFTRCRHR1INSRCSF1RPDGFRB
SCHEMBL6394323 0.68 KDR (0.47) CFTRCRHR1INSRCSF1RPDGFRB
SCHEMBL6401975 0.67 KDR (0.47) CFTRINSRCSF1RPDGFRBPDGFRA

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 disclosed
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 disclosed