SCHEMBL4043786

SCHEMBL4043786

C#Cc1ccccc1C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PLK1 P53350 2/20 0.50
POLB P06746 2/20 0.50
BRD4 O60885 3/20 0.40
ALDH1A1 P00352 1/20 0.40
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPK10 P53779 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL6539235 0.82 GAA (0.55) GAAPLK1POLBBRD4KAT2B
SCHEMBL8502275 0.82 GAA (0.55) GAAPLK1POLBBRD4ALDH1A1
SCHEMBL15904773 0.81 GAA (0.53) GAAPLK1POLBBRD4KAT2B
SCHEMBL2728048 0.81 POLB (0.67) GAAPLK1POLBALDH1A1L3MBTL1
SCHEMBL29732828 0.81 CTSD (0.49) GAAPOLBALDH1A1
SCHEMBL2344909 0.79 GAA (0.71) GAAPLK1POLBBRD4ALDH1A1
SCHEMBL31581107 0.78 ALDH1A1 (0.59) GAAPOLBALDH1A1
SCHEMBL1929562 0.78 KDM4E (0.39) GAAPOLBALDH1A1
SCHEMBL11812944 0.78 FFAR1 (0.44) POLBALDH1A1
SCHEMBL28756319 0.78 KMT2A (0.63) GAAALDH1A1L3MBTL1

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
WO-2025106722-A1 INHIBITORS OF STK33, RET, CLK, AND/OR RELATED KINASES AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2025-05-22 WO disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed