SCHEMBL22065232

SCHEMBL22065232

CNc1nc(-c2cccc(NC(=S)Nc3cccc(C(F)(F)F)c3)c2)nc(NCc2ccncc2)c1C=N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 10/20 0.49
KDR P35968 9/20 0.49
FLT1 P17948 6/20 0.49
ABL1 P00519 2/20 0.49
EGFR P00533 2/20 0.49
PDGFRB P09619 2/20 0.49
FLT4 P35916 2/20 0.49
TEK Q02763 2/20 0.49
PRKCB P05771 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
LYN P07948 1/20 0.49
SRC P12931 1/20 0.49
PRKCA P17252 1/20 0.49
FGFR4 P22455 1/20 0.49
EPHA2 P29317 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
ZAP70 P43403 1/20 0.49

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
SCHEMBL22024855 0.80 KDR (0.53) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22024568 0.79 KDR (0.53) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22066418 0.77 CYP3A4 (0.43) KDRFYNALDH1A1LMNAMEN1
SCHEMBL22066326 0.73 KDR (0.44) EPHB4KDRTEKALDH1A1L3MBTL1
SCHEMBL11642147 0.72 MAPT (0.79) KDRFLT1ABL1EGFRPDGFRB
SCHEMBL22024854 0.71 EPHB4 (0.60) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22024648 0.71 EPHB4 (0.52) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22025032 0.71 EPHB4 (0.57) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22024565 0.71 KDR (0.53) EPHB4KDRFLT1ABL1EGFR
SCHEMBL22025542 0.71 EPHB4 (0.59) EPHB4KDRFLT1ABL1EGFR

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-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed