SCHEMBL31375980

SCHEMBL31375980

Cn1ncc(Br)c1-c1cccc2nonc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ HTR2A P28223 10/20 0.35
▸ HTR2C P28335 9/20 0.35
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MBOAT4 Q96T53 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
SCHEMBL31376030 0.74 MEN1 (0.40) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL13836388 0.73 KMT2A (0.48) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL31375950 0.72 TGFBR1 (0.44) HTR2AHTR2C
SCHEMBL18983526 0.70 AKT1 (0.35) HTR2AHTR2C
SCHEMBL23087496 0.70 HSD11B1 (0.49) KMT2AHIF1AHTR2AHTR2C
SCHEMBL2273938 0.70 HTR2A (0.47) HIF1AHTR2AHTR2C
SCHEMBL23087258 0.70 PRMT5 (0.47) HIF1AHTR2AHTR2C
SCHEMBL1420436 0.69 KMT2A (0.46) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL12681399 0.67 GAA (0.41) TDP1HIF1AHTR2AHTR2C
SCHEMBL23105041 0.67 PRMT5 (0.44) MAPK1HIF1AHTR2AHTR2C

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
CN-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 — — CN disclosed
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