SCHEMBL18633730

SCHEMBL18633730

Cc1ccc(C(=O)NC2CC2)cc1/C=C/c1csc2c(NC3CC=C(N4CCOCC4)CC3)ncnc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.46
ABL1 P00519 7/20 0.44
SRC P12931 7/20 0.44
RIPK2 O43353 2/20 0.39
MAPK14 Q16539 3/20 0.39
LCK P06239 2/20 0.39
KIT P10721 2/20 0.39
KDR P35968 2/20 0.39
MAPK9 P45984 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MAPK10 P53779 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL18633604 0.86 GBA1 (0.43) BRAFABL1SRCMAPK14
SCHEMBL2232226 0.84 MAPK14 (0.46) BRAFABL1SRCMAPK14
SCHEMBL2232232 0.84 MAPK14 (0.46) BRAFABL1SRCMAPK14
SCHEMBL2233672 0.83 ABL1 (0.48) BRAFABL1SRCRIPK2MAPK14
SCHEMBL2233664 0.83 ABL1 (0.48) BRAFABL1SRCRIPK2MAPK14
SCHEMBL2234230 0.77 MAPT (0.45) ABL1SRC
SCHEMBL28039512 0.76 MAPK14 (0.38) BRAFABL1SRCRIPK2MAPK14
SCHEMBL2236177 0.76 MAPK14 (0.46) BRAFRIPK2MAPK14KITNPC1
SCHEMBL2236168 0.76 MAPK14 (0.46) BRAFRIPK2MAPK14KITNPC1
SCHEMBL12348401 0.75 MAPK14 (0.40) BRAFABL1SRCRIPK2MAPK14

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-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed