SCHEMBL3348495

SCHEMBL3348495

Clc1ccn2nc(-c3ccccc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 5/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP2 O95551 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 3/20 0.40

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
SCHEMBL23998613 0.86 KDM4E (0.41) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL31692752 0.86 TDP2 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL23998385 0.85 CYP19A1 (0.41) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL30250866 0.83 ALDH1A3 (0.47) ALDH1A1HSD17B10
SCHEMBL23998434 0.83 ALDH1A3 (0.47) ALDH1A1HSD17B10
SCHEMBL23998500 0.81 NPC1 (0.40) L3MBTL1NPC1MAPT
SCHEMBL2749583 0.79 RAB9A (0.58) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL23998453 0.78 PTGS1 (0.44) KMT2AMEN1L3MBTL1KDM4ETDP2
SCHEMBL3564589 0.75 KDM4E (0.52) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL25331126 0.74 AHR (0.38) ALDH1A1L3MBTL1KDM4EHTTTDP2

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 1 patent. 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 disclosed