SCHEMBL3346587

SCHEMBL3346587

CC1=C(C#Cc2ccn3nccc3n2)C(C)(C)CCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
OGA O60502 1/20 0.35
PDE10A Q9Y233 3/20 0.32
TGFBR1 P36897 2/20 0.31
DYRK1A Q13627 1/20 0.31
FGFR2 P21802 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
SCHEMBL3347143 0.74 OGA (0.39) OGAPDE10ATGFBR1DYRK1AFGFR2
SCHEMBL3346711 0.74 GRM5 (0.52) OGADYRK1A
SCHEMBL3346766 0.71 GRM5 (0.53) PDE10ATGFBR1
SCHEMBL3346384 0.70 GRM5 (0.43) OGAPDE10ATGFBR1DYRK1A
SCHEMBL3346192 0.69 GRM5 (0.47) OGAPDE10ATGFBR1DYRK1A
SCHEMBL3348313 0.69 OGA (0.36) OGATGFBR1DYRK1AFGFR2
SCHEMBL3347593 0.69 OGA (0.42) OGAPDE10ATGFBR1DYRK1A
SCHEMBL3346205 0.68 OGA (0.53) OGATGFBR1DYRK1AFGFR2
SCHEMBL3345968 0.68 GRM5 (0.50) OGATGFBR1DYRK1A
SCHEMBL3351201 0.68 OGA (0.37) OGAPDE10ATGFBR1DYRK1AFGFR2

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 1 patent. 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 disclosed