SCHEMBL29129295

SCHEMBL29129295

COC(CNCc1cccc(Br)c1F)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
HTR2C P28335 4/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29988047 1.00 HTR2A (0.43) HTR2AHTR2CMEN1KMT2APDCD1LG2
SCHEMBL22093865 0.84 KMT2A (0.40) HTR2AHTR2CMEN1KMT2AMAPK1
SCHEMBL31308967 0.84 KMT2A (0.40) HTR2AHTR2CMEN1KMT2AMAPK1
SCHEMBL31048634 0.84 MEN1 (0.46) HTR2AHTR2CMEN1KMT2A
SCHEMBL29129294 0.83 MEN1 (0.38) HTR2AHTR2CMEN1KMT2APDCD1LG2
SCHEMBL29987526 0.83 MEN1 (0.38) HTR2AHTR2CMEN1KMT2APDCD1LG2
SCHEMBL13724407 0.78 MAPK1 (0.47) HTR2AHTR2CMEN1KMT2AMAPK1
SCHEMBL28892116 0.77 PDCD1LG2 (0.34) HTR2AHTR2CMEN1KMT2APDCD1LG2
SCHEMBL17540700 0.76 KMT2A (0.38) HTR2AHTR2CMEN1KMT2AATM
SCHEMBL24607728 0.76 P2RX7 (0.38) HTR2AHTR2CMEN1KMT2ASMN1; SMN2

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-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 CN disclosed
WO-2022214044-A1 AMINE-SUBSTITUTED PYRIDINE FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-10-13 WO disclosed