SCHEMBL23901371

SCHEMBL23901371

CN1CCN(c2cc(-c3cccc(Br)n3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
SMG1 Q96Q15 1/20 0.52
KDM4E B2RXH2 1/20 0.51
RAD52 P43351 1/20 0.51
UBE2N P61088 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KARS1 Q15046 5/20 0.49
HRH4 Q9H3N8 3/20 0.47
TLR9 Q9NR96 2/20 0.46
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
HTR3A P46098 1/20 0.46
LRRK2 Q5S007 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL902067 0.84 MTOR (0.54) MTORSMG1KDM4ERAD52UBE2N
SCHEMBL2385606 0.76 HRH4 (0.58) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL1704214 0.76 KARS1 (0.77) MTORSMG1KARS1
SCHEMBL15344219 0.75 RAD52 (0.55) MTORSMG1KDM4ERAD52UBE2N
SCHEMBL421349 0.75 HTR3A (0.66) KDM4EHRH4HTR3AHRH3
SCHEMBL30895935 0.75 HTR3A (0.66) KDM4EHRH4HTR3AHRH3
SCHEMBL15340858 0.75 KDM4E (0.52) MTORSMG1KDM4ERAD52UBE2N
SCHEMBL15509065 0.74 HRH4 (0.59) KDM4ERAD52UBE2NL3MBTL1HRH4
Hydrochloric Acid SCHEMBL9131760 0.74 HTR3A (0.64) KDM4EHRH4HTR3AHRH3
SCHEMBL26176286 0.73 DYRK1A (0.51) MTORSMG1KDM4ERAD52UBE2N

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-115916771-B Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2025-04-01 CN disclosed
WO-2021197467-A1 MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海华汇拓医药科技有限公司 2021-10-07 WO disclosed