SCHEMBL28065792

SCHEMBL28065792

Nc1cc2ncccc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.53
NR4A2 P43354 4/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL3293181 0.80 ALDH1A1 (0.50) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL30903381 0.80 CASP6 (0.52) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL24971013 0.80 CASP6 (0.52) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL29987120 0.77 CASP6 (0.58) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL28065783 0.77 TDP1 (0.46) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL28107525 0.77 TDP1 (0.46) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL846680 0.74 KMT2A (0.55) CASP6MAPTMEN1KMT2ANPC1
SCHEMBL28753586 0.73 CASP6 (0.86) CASP6NR4A2MAPTMEN1KMT2A
SCHEMBL1993651 0.73 TOP1 (0.50) NR4A2NPC1POLBL3MBTL1TDP1
SCHEMBL27963113 0.73 NPSR1 (0.43) CASP6NR4A2MAPTTDP1ALDH1A1

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
CN-118724895-A Condensed ring amine derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-10-01 CN disclosed
CN-102007125-B fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2016-05-25 CN disclosed