SCHEMBL29208147

SCHEMBL29208147

Nc1nn2c(Cl)cccc2c1C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.32
CHEK1 O14757 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
CSNK1A1 P48729 1/20 0.32
LIMK1 P53667 1/20 0.32
TYRO3 Q06418 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL29208170 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1TDP1MAPK14
SCHEMBL5463248 0.73 MAPK14 (0.59) KMT2AALDH1A1MAPK14
SCHEMBL6108102 0.71 MAPK14 (0.36) MAPK14CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL5208807 0.70 MAPK14 (0.36) MEN1KMT2AALDH1A1TDP1MAPK14
SCHEMBL25373010 0.62 MEN1 (0.32) MEN1KMT2AALDH1A1TDP1CHEK1
SCHEMBL3076662 0.62 HPGD (0.49) MEN1KMT2AALDH1A1TDP1MAPK14
SCHEMBL18130849 0.61 MPO (0.40) MEN1KMT2AALDH1A1MAPK14HPGD
SCHEMBL29208207 0.58 DYRK1B (0.36) ALDH1A1CHEK1LTKGRK5CSNK1A1
SCHEMBL2773330 0.58 NUDT1 (0.57) MEN1KMT2AALDH1A1HPGDCHEK1
SCHEMBL1571095 0.58 ALDH1A1 (0.70) MEN1KMT2AALDH1A1TDP1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737449-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2026-05-06 EP disclosed
WO-2025002177-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2025-01-02 WO disclosed
CN-117986235-A P53-Y220C selective small molecule reactivation agent compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2024-05-07 CN disclosed