SCHEMBL3347002

SCHEMBL3347002

C#Cc1ccccc1NC(C)=O.c1cn2ncc3c2nc1-3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHB3 P54753 2/20 0.38
RET P07949 2/20 0.38
TGFBR1 P36897 4/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.34
CAMK2D Q13557 1/20 0.34

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
SCHEMBL3348254 0.87 EPHB3 (0.42) MEN1NPC1RAB9AKMT2AEPHB3
SCHEMBL3048096 0.77 ALDH1A1 (0.55) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL3347267 0.77 TGFBR1 (0.45) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL3351360 0.76 MAPT (0.38) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL3345835 0.76 MAPT (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL22162325 0.65 IRAK4 (0.50) IRAK4JAK1TYK2JAK3
SCHEMBL22097340 0.65 EPHB3 (0.39) SMN1; SMN2EPHB3RETIRAK4ALDH1A1
SCHEMBL4786596 0.65 KDM4E (0.56) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6511540 0.64 HDAC1 (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL16180149 0.64 EPHB3 (0.45) MEN1KMT2AEPHB3TGFBR1IRAK4

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