SCHEMBL3347544

SCHEMBL3347544

CCOC(=O)c1ccncc1C#Cc1ccn2nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
DCTPP1 Q9H773 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PDE4A P27815 1/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
CLK1 P49759 1/20 0.35
UBE2N P61088 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA1C Q13936 1/20 0.35
TGFBR1 P36897 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL3347534 0.77 JMJD6 (0.46) OGASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL3354068 0.75 NUDT1 (0.43) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL3561467 0.72 CYP1A2 (0.57) HPGDALDH1A1PDE4ANPC1RAB9A
SCHEMBL31339220 0.71 TSHR (0.47) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL3346192 0.69 GRM5 (0.47) OGATSHRTGFBR1
SCHEMBL3347789 0.67 GRM5 (0.49) OGASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL25935636 0.67 TSHR (0.46) DCTPP1HPGDALDH1A1PDE4ATP53
SCHEMBL3345958 0.67 GRM5 (0.52)
SCHEMBL29837473 0.67 TSHR (0.60) ALDH1A1TP53NPC1RAB9AMAPK1
SCHEMBL3515887 0.67 TSHR (0.60) ALDH1A1TP53NPC1RAB9AMAPK1

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