SCHEMBL3347568

SCHEMBL3347568

COc1ncccc1-c1cc(F)cc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
TGFBR1 P36897 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PIK3CD O00329 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALK Q9UM73 2/20 0.34
USP30 Q70CQ3 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL3346922 0.87 GRM5 (0.39) GRM5TGFBR1
SCHEMBL3347498 0.85 GRM5 (0.41) GRM5PIK3CDLOXL2
SCHEMBL3351280 0.80 GRM5 (0.47) GRM5
SCHEMBL3347598 0.78 GRM5 (0.58) GRM5
SCHEMBL3348352 0.78 ALOX5AP (0.41) GRM5FFAR4LOXL2ALOX5APFEN1
SCHEMBL3347563 0.74 GRM5 (0.36) GRM5
SCHEMBL15674287 0.73 ALOX5AP (0.51) GRM5FFAR4LOXL2ALOX5APFEN1
SCHEMBL3347295 0.72 GRM5 (0.48) GRM5
SCHEMBL3346603 0.71 GRM5 (0.41) GRM5TGFBR1NPC1RAB9A
SCHEMBL3347573 0.69 GRM5 (0.58) GRM5

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