SCHEMBL3350895

SCHEMBL3350895

O=C1C=C(C#Cc2ccn3nccc3n2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
OGA O60502 1/20 0.35
FGFR2 P21802 1/20 0.34
DYRK1A Q13627 1/20 0.33
CYP1A2 P05177 3/20 0.32
SCN5A Q14524 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
SCHEMBL3347868 0.81 GRM5 (0.61) GRM5
SCHEMBL3346711 0.80 GRM5 (0.52) GRM5OGADYRK1ACYP1A2SCN5A
SCHEMBL3347098 0.76 DYRK1A (0.33) GRM5OGAFGFR2DYRK1ACYP1A2
SCHEMBL3347547 0.75 GRM5 (0.54) GRM5OGADYRK1ACYP1A2
SCHEMBL3346736 0.73 OGA (0.35) GRM5OGADYRK1ACYP1A2
SCHEMBL7417628 0.72 GRM5 (0.60) GRM5CYP1A2
SCHEMBL3347519 0.71 GRM4 (0.46) GRM5DYRK1ACYP1A2
SCHEMBL4160148 0.71 GRM5 (0.65) GRM5CYP1A2
SCHEMBL3348318 0.70 GRM5 (0.43) GRM5OGAFGFR2
SCHEMBL15719787 0.70 DYRK1A (0.44) OGADYRK1ASCN5A

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