SCHEMBL306630

SCHEMBL306630

CCC(C)(C)Nc1ncc(C)c(Nc2cccc(NC(C)=O)c2C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
JAK3 P52333 1/20 0.42
AURKA O14965 1/20 0.41
MAPK3 P27361 4/20 0.39
MAPK1 P28482 2/20 0.39
MAP2K1 Q02750 1/20 0.39
PKMYT1 Q99640 1/20 0.38
SYK P43405 2/20 0.38
BTK Q06187 2/20 0.38
SCN9A Q15858 4/20 0.38
ITK Q08881 3/20 0.38
BRD4 O60885 1/20 0.36
JAK1 P23458 1/20 0.36
HDAC1 Q13547 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL270784 0.89 MAPK3 (0.47) EGFRJAK3AURKAMAPK3MAPK1
SCHEMBL10261580 0.84 EGFR (0.45) EGFRJAK3AURKAMAPK3MAPK1
SCHEMBL13868411 0.84 SYK (0.48) EGFRJAK3AURKAMAPK3PKMYT1
SCHEMBL12111172 0.83 EGFR (0.60) EGFRJAK3SYKBTKITK
SCHEMBL12279068 0.79 ALDH1A1 (0.44) AURKAMAPK3MAPK1MAP2K1BTK
SCHEMBL263570 0.77 ALDH1A1 (0.42) AURKAMAPK3MAPK1MAP2K1SCN9A
SCHEMBL12320917 0.74 TTBK1 (0.42) EGFRJAK3AURKAMAPK3MAPK1
SCHEMBL13868406 0.74 EGFR (0.53) EGFRJAK3AURKASYKBTK
SCHEMBL270260 0.74 AURKA (0.45) AURKAMAPK3PKMYT1
SCHEMBL270219 0.73 TP53 (0.43) AURKAMAPK3SYK

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
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed