SCHEMBL3348895

SCHEMBL3348895

Clc1cccc(C#CCOc2ccn3nccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
GRM5 P41594 8/20 0.38
CYP2D6 P10635 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
KCNN3 Q9UGI6 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
DYRK1A Q13627 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3347005 0.86 ALOX5 (0.40) GRM5CHRNB2CHRNA4DYRK1AEGLN1
SCHEMBL3346741 0.86 ADORA2B (0.42) CHRM2CHRM1GRM5CHRNB2CHRNA4
SCHEMBL3347130 0.85 CA12 (0.38) CHRM2CHRM1CYP2C9DYRK1A
SCHEMBL3348338 0.83 GRM5 (0.43) CHRM2CHRM1GRM5CYP2D6CHRNB2
SCHEMBL3346158 0.81 CYP2A6 (0.44) GRM5CYP2D6CHRNB2CHRNA4CYP2C9
SCHEMBL3346865 0.79 CHRM2 (0.35) CHRM2CHRM1GRM5PTGDR2DYRK1A
SCHEMBL3346523 0.78 CYP2A6 (0.35) CHRM2CHRM1GRM5DYRK1A
SCHEMBL3346526 0.78 GRM5 (0.37) CHRM2CHRM1GRM5CYP2D6KCNN3
SCHEMBL3348434 0.76 GRM5 (0.54) GRM5DYRK1AKCNH2
SCHEMBL3348468 0.76 GRM5 (0.45) GRM5DYRK1AKCNH2

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed