SCHEMBL25877628

SCHEMBL25877628

O=C(c1cccc(-c2cn3ccccc3n2)c1)N1CC2CN(C(=O)c3ccnc(Nc4ccccc4)n3)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
LMNA P02545 5/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 4/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 10/20 0.49
HPGD P15428 6/20 0.49
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
SYK P43405 1/20 0.44
MAPK1 P28482 2/20 0.43
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL25877650 0.87 KDM4E (0.55) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25313050 0.85 KDM4E (0.51) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL29466348 0.85 KDM4E (0.51) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25310936 0.84 KDM4E (0.58) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25882701 0.80 KDM4E (0.56) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL29466341 0.80 GSK3A (0.47) RAB9AMAPTNPC1MAPK1
SCHEMBL25878075 0.80 GSK3A (0.47) RAB9AMAPTNPC1MAPK1
SCHEMBL25310339 0.77 KDM4E (0.53) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25313124 0.77 GSK3A (0.45) RAB9AMAPTNPC1MAPK1
SCHEMBL25311688 0.76 KDM4E (0.54) KDM4ESMN1; SMN2LMNARAB9APOLB

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
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed