SCHEMBL12468205

SCHEMBL12468205

O=C(c1n[nH]c2ccncc12)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.43
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
WNT1 P04628 8/20 0.42
CSNK2A1 P68400 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 3/20 0.37
AHR P35869 1/20 0.37
GRM5 P41594 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
SCHEMBL30356824 0.79 PRKAG1 (0.46) DYRK1ACSNK2A1AHRGRM5
SCHEMBL492537 0.79 PRKAG1 (0.46) DYRK1ACSNK2A1AHRGRM5
SCHEMBL12480678 0.78 DYRK1A (0.42) DYRK1ACLK2CLK3WNT1AHR
SCHEMBL29958456 0.78 DYRK1A (0.42) DYRK1ACLK2CLK3WNT1AHR
SCHEMBL13837149 0.78 KDM4E (0.41) DYRK1AWNT1AHRGRM5
Hydrochloric Acid SCHEMBL30645338 0.76 DYRK1A (0.41) DYRK1ACLK2CLK3WNT1AHR
SCHEMBL16516966 0.74 KDM4E (0.65) DYRK1ACSNK2A1NPC1
SCHEMBL492254 0.74 DYRK1A (0.41) DYRK1ACLK2CLK3WNT1
SCHEMBL1635357 0.73 AHR (0.43) DYRK1AWNT1AHRGRM5
SCHEMBL12468204 0.73 ELANE (0.37) DYRK1ACLK2CLK3CSNK2A1ELANE

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
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed