SCHEMBL3345949

SCHEMBL3345949

COc1cccc(CC#Cc2ccn3nccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
POLB P06746 1/20 0.39
LPO P22079 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CMA1 P23946 1/20 0.37
TAAR1 Q96RJ0 3/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3347573 0.81 GRM5 (0.58) GRM5
SCHEMBL3348379 0.81 CYP11B1 (0.38) MEN1KMT2ATAAR1IDH1ALDH1A1
SCHEMBL3346817 0.81 DYRK1A (0.41) SIGMAR1
SCHEMBL3345883 0.81 DYRK1A (0.37) GRM5
SCHEMBL3346876 0.80 CYP19A1 (0.42) IDH1ALDH1A1
SCHEMBL3346361 0.78 GRM5 (0.41) GRM5
SCHEMBL3346202 0.72 GRM5 (0.57) GRM5
SCHEMBL11503299 0.70 TAAR1 (0.55) LPOCMA1TAAR1IDO1AGXT
SCHEMBL3345830 0.69 FFAR1 (0.40) GRM5
SCHEMBL3416442 0.69 KCNH2 (0.41) GRM5KDM4EALDH1A1

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