SCHEMBL13043373

SCHEMBL13043373

CN(C)c1c(N2CCc3cc(NC(=O)c4sccc4NCc4ccnc5ccccc45)ccc32)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.52
RET P07949 3/20 0.52
KIT P10721 2/20 0.52
RAF1 P04049 1/20 0.52
LCK P06239 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAP3K20 Q9NYL2 1/20 0.52
RIPK3 Q9Y572 1/20 0.52
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
FLT1 P17948 4/20 0.41
BRAF P15056 1/20 0.36
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SYK P43405 1/20 0.33
TYRO3 Q06418 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL3735477 0.94 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL13043403 0.92 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL13043372 0.91 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL13043389 0.91 KDR (0.54) KDRRETKITRAF1LCK
SCHEMBL13043393 0.90 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL13043376 0.90 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL13043420 0.90 KDR (0.51) KDRRETKITRAF1LCK
SCHEMBL13043362 0.90 KDR (0.53) KDRRETKITRAF1LCK
SCHEMBL13043400 0.90 KDR (0.51) KDRRETKITRAF1LCK
SCHEMBL13043379 0.89 KDR (0.51) KDRRETKITRAF1LCK

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-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed