SCHEMBL14019059

SCHEMBL14019059

N#C/N=C(\NCc1ccccn1)Nc1cc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
RAF1 P04049 1/20 0.55
LCK P06239 1/20 0.55
RET P07949 1/20 0.55
CYP3A4 P08684 1/20 0.55
KIT P10721 1/20 0.55
MAP3K20 Q9NYL2 1/20 0.55
RIPK3 Q9Y572 1/20 0.55
FLT1 P17948 5/20 0.47
NR2E1 Q9Y466 3/20 0.40
RORA P35398 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SORT1 Q99523 1/20 0.36
TRPA1 O75762 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL4846748 0.90 KDR (0.58) KDRRAF1LCKRETCYP3A4
SCHEMBL4846740 0.90 KDR (0.58) KDRRAF1LCKRETCYP3A4
SCHEMBL4849817 0.90 KDR (0.53) KDRRAF1LCKRETCYP3A4
SCHEMBL4849820 0.90 KDR (0.53) KDRRAF1LCKRETCYP3A4
SCHEMBL4843794 0.89 KDR (0.54) KDRRAF1LCKRETCYP3A4
SCHEMBL4852047 0.89 KDR (0.55) KDRRAF1LCKRETCYP3A4
SCHEMBL4852051 0.89 KDR (0.55) KDRRAF1LCKRETCYP3A4
SCHEMBL4843791 0.89 KDR (0.54) KDRRAF1LCKRETCYP3A4
SCHEMBL14019057 0.87 KDR (0.59) KDRRAF1LCKRETCYP3A4
SCHEMBL4845175 0.87 KDR (0.59) KDRRAF1LCKRETCYP3A4

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
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed