SCHEMBL3346711

SCHEMBL3346711

C(#Cc1ccn2nccc2n1)C1=CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
CYP1A2 P05177 2/20 0.52
DYRK1A Q13627 1/20 0.34
OGA O60502 1/20 0.34
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SCN5A Q14524 1/20 0.31

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
SCHEMBL3347547 0.82 GRM5 (0.54) GRM5CYP1A2DYRK1AOGA
SCHEMBL3347098 0.80 DYRK1A (0.33) GRM5CYP1A2DYRK1AOGASCN5A
SCHEMBL3350895 0.80 GRM5 (0.36) GRM5CYP1A2DYRK1AOGASCN5A
SCHEMBL3346736 0.79 OGA (0.35) GRM5CYP1A2DYRK1AOGA
SCHEMBL3347868 0.74 GRM5 (0.61) GRM5
SCHEMBL3346587 0.74 RARB (0.40) DYRK1AOGA
SCHEMBL3347519 0.72 GRM4 (0.46) GRM5CYP1A2DYRK1ANPC1RAB9A
SCHEMBL9903641 0.72 CYP1A2 (0.48) GRM5CYP1A2FFAR1NPC1RAB9A
SCHEMBL3348318 0.71 GRM5 (0.43) GRM5OGA
SCHEMBL3347143 0.71 OGA (0.39) GRM5DYRK1AOGA

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