SCHEMBL3346812

SCHEMBL3346812

C#CNc1ccccc1.c1cn2ncc3c2nc1-3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
PIK3CD O00329 1/20 0.38
RET P07949 2/20 0.38
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
PIM2 Q9P1W9 4/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.33

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
SCHEMBL3347267 0.74 TGFBR1 (0.45) PIM1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL15286421 0.71 CAMKK1 (0.56) PIM1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL3346996 0.69 MEN1 (0.41) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL465339 0.69
Benzene SCHEMBL28686547 0.69 ALDH1A1 (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29730399 0.67 ALDH1A1 (0.43) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27780348 0.67 ALDH1A1 (0.43) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27820487 0.67 ALDH1A1 (0.43) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1358827 0.63 ALDH1A1 (0.39) MEN1KMT2ALMNA
SCHEMBL28126651 0.63 TSHR (0.42) MAPTSMN1; SMN2MEN1NPC1RAB9A

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