SCHEMBL3346516

SCHEMBL3346516

Cc1ccccc1C#CCOc1ccn2nccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
TGFBR1 P36897 2/20 0.33
GRM5 P41594 2/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
FFAR1 O14842 1/20 0.32
DYRK1A Q13627 1/20 0.32
SCN5A Q14524 1/20 0.31
OGA O60502 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL3346865 0.85 CHRM2 (0.35) GRM5CHRM2CHRM1DYRK1ASCN5A
SCHEMBL3345871 0.85 CHRM2 (0.35) TGFBR1GRM5CHRM2CHRM1DYRK1A
SCHEMBL3347174 0.83 ALOX5 (0.36) ALOX5GRM5FFAR1
SCHEMBL3347130 0.82 CA12 (0.38) ALOX5CHRM2CHRM1DYRK1ASCN5A
SCHEMBL3347020 0.80 CYP2A6 (0.36) TGFBR1CHRM2CHRM5CHRM1OGA
SCHEMBL3348468 0.80 GRM5 (0.45) ALOX5TGFBR1GRM5DYRK1ASCN5A
SCHEMBL3347309 0.80 GRM5 (0.53) TGFBR1GRM5
SCHEMBL3347005 0.79 ALOX5 (0.40) ALOX5TGFBR1GRM5FFAR1DYRK1A
SCHEMBL3347007 0.78 GRM5 (0.43) GRM5
SCHEMBL3346788 0.77 GRM5 (0.32) TGFBR1GRM5CHRM2CHRM5CHRM1

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