SCHEMBL3347534

SCHEMBL3347534

CCOC(=O)c1ccnc(C#Cc2ccn3nccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 6/20 0.46
PIK3CA P42336 1/20 0.44
OGA O60502 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3347544 0.77 OGA (0.40) OGANPC1RAB9AMEN1KMT2A
SCHEMBL3354058 0.76 PIK3CA (0.50) JMJD6PIK3CANPC1RAB9AMEN1
SCHEMBL3561467 0.73 CYP1A2 (0.57) NPC1RAB9AKMT2AMAPK1KDM4E
SCHEMBL15288593 0.72 SCN5A (0.53) JMJD6NPC1RAB9AMEN1KMT2A
SCHEMBL508971 0.72 JMJD6 (0.52) JMJD6PIK3CAKDM4EALDH1A1HPGD
SCHEMBL31132513 0.70 MAP4K4 (0.48) JMJD6PIK3CAMEN1KMT2AMAPK1
SCHEMBL5680334 0.70 L3MBTL1 (0.46) JMJD6PIK3CAMEN1KMT2AKDM4E
SCHEMBL3346432 0.70 GRM5 (0.41) OGAALDH1A1
SCHEMBL3347027 0.69 GRM5 (0.50)
SCHEMBL3346985 0.69 GRM5 (0.42) OGAALDH1A1

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