SCHEMBL13685175

SCHEMBL13685175

Cc1ccccc1Nc1ncc(-c2nc(NCCN3C(=O)NC(=O)C3(C)C)ncc2Br)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
MAPK10 P53779 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
WEE1 P30291 1/20 0.31
IGF1R P08069 1/20 0.31
NAMPT P43490 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
PDE9A O76083 1/20 0.30
AURKA O14965 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
TTK P33981 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL13685006 0.90 LRRK2 (0.36) SYKLMNANAMPTCCNA2CDK2
SCHEMBL13684926 0.90 SYK (0.36) SYKMAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL2981463 0.84 JAK2 (0.33) LMNAPLK1
SCHEMBL2981910 0.80 HDAC6 (0.34)
SCHEMBL2975235 0.79 MERTK (0.34)
SCHEMBL2986508 0.79 MAPK1 (0.33)
SCHEMBL2976404 0.79
SCHEMBL2977467 0.78 GRIN1 (0.32)
SCHEMBL2977647 0.78
SCHEMBL2985174 0.77 USP2 (0.32) SMN1; SMN2LMNATP53

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-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP claimed