SCHEMBL624979

SCHEMBL624979

N#Cc1cccc(-c2cn3nc(NC4CC5(CCNCC5)C4)sc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ROCK2 O75116 2/20 0.37
F2RL3 Q96RI0 4/20 0.37
USP30 Q70CQ3 2/20 0.36
PIM1 P11309 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
XDH P47989 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PLAT P00750 1/20 0.33
ALDH1A3 P47895 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
SCHEMBL625549 0.85 F2RL3 (0.51) F2RL3PIM1
SCHEMBL625541 0.85 FYN (0.47) F2RL3HSD17B10TP53
SCHEMBL625561 0.82 PIM1 (0.49) F2RL3PIM1XDHPLAT
SCHEMBL624037 0.82 CYP2D6 (0.39) ADORA2AROCK2HSD17B10
SCHEMBL624978 0.81 FYN (0.51) PIM1CYP1A2CYP2C19HSD17B10CLK4
SCHEMBL623852 0.78 FYN (0.42) ADORA2AF2RL3CYP1A2CYP2C19HSD17B10
SCHEMBL626108 0.74 MAP3K12 (0.42)
SCHEMBL2255601 0.72 ADORA2A (0.47) ADORA2AF2RL3HSD17B10TP53ALDH1A3
SCHEMBL1945054 0.70 F2RL3 (0.54) F2RL3HSD17B10TP53
SCHEMBL624816 0.70 PIM1 (0.51) F2RL3PIM1

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed