SCHEMBL3350900

SCHEMBL3350900

C#CC1=CCCCC1=O.c1cn2ncc3c2nc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 1/20 0.32
JAK2 O60674 1/20 0.32
ALK Q9UM73 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDR P35968 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL3347872 0.80 SMN1; SMN2 (0.37) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL28376827 0.72
SCHEMBL3345835 0.63 MAPT (0.40) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL3347002 0.63 MEN1 (0.40) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL3348254 0.61 EPHB3 (0.42) MEN1NPC1RAB9AKMT2ACAMKK1
SCHEMBL6068446 0.57
SCHEMBL9459976 0.56
SCHEMBL11902985 0.55 MAPT (0.33) MAPT
SCHEMBL16620804 0.54 KDM4E (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL11502520 0.52 MAPT (0.41) MAPTALDH1A1

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