SCHEMBL3347267

SCHEMBL3347267

C#Cc1ccccc1C#N.c1cn2ncc3c2nc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK2 P24941 1/20 0.39
PIM1 P11309 2/20 0.36
EPHB3 P54753 1/20 0.36
PIK3CD O00329 2/20 0.35
CSNK2A1 P68400 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 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
SCHEMBL3345835 0.81 MAPT (0.40) TGFBR1SMN1; SMN2MAPTMEN1NPC1
SCHEMBL3351360 0.81 MAPT (0.38) TGFBR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL3347002 0.77 MEN1 (0.40) TGFBR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3348254 0.75 EPHB3 (0.42) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL29220718 0.71 ALDH1A1 (0.61) TGFBR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL1803188 0.70 TSHR (0.50) ALDH1A1KDM4EPOLB
SCHEMBL15638963 0.68 TGFBR1 (0.64) TGFBR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL15286421 0.67 CAMKK1 (0.56) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL21317906 0.67 TGFBR1 (0.60) TGFBR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL3350900 0.66 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMAPT

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