SCHEMBL451550

SCHEMBL451550

CC(=O)Nc1cn2nc(Br)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ABL1 P00519 2/20 0.38
MAP4K4 O95819 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK7 P50613 1/20 0.38
TYRO3 Q06418 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL452295 0.71 F2RL3 (0.46) NPC1RAB9AF2RL3ALOX15
SCHEMBL15349653 0.69 F2RL3 (0.39) KDM4EF2RL3TSHRALOX15
SCHEMBL1650295 0.69 F2RL3 (0.44) F2RL3
SCHEMBL2249978 0.68 F2RL3 (0.38) F2RL3
SCHEMBL2257311 0.67 ALDH1A1 (0.34) LMNAF2RL3PKM
SCHEMBL2518350 0.66 PIK3CA (0.49) PIK3CGPIK3CA
SCHEMBL2921301 0.66 PIK3CA (0.49) PIK3CGPIK3CA
SCHEMBL1841987 0.66 PIK3CG (0.38) CYP1A2KDM4ELMNAABL1MAP4K4
SCHEMBL11358850 0.65 L3MBTL1 (0.48) DYRK1ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL451549 0.65 RAB9A (0.36) DYRK1ANPC1CYP1A2CYP3A4CYP2C9

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
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed