SCHEMBL30656174

SCHEMBL30656174

N#Cc1cc(C#N)c(SCc2ccccc2)nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
NPSR1 Q6W5P4 4/20 0.59
PPARG P37231 2/20 0.59
NCOA2 Q15596 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
TP53 P04637 1/20 0.59
NCOA1 Q15788 1/20 0.59
ESR2 Q92731 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
TDP1 Q9NUW8 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 6/20 0.55
HSD17B10 Q99714 3/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL1819828 0.78 ALDH1A1 (0.51) ALDH1A1NPSR1PPARGNCOA2RXFP1
SCHEMBL811481 0.75 ALDH1A1 (0.78) ALDH1A1TP53KMT2ASMN1; SMN2KDM4E
SCHEMBL966929 0.74 MAPT (0.74) ALDH1A1NPSR1PPARGRXFP1KMT2A
SCHEMBL13913676 0.73 RET (0.78) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E
SCHEMBL20261927 0.73 ALDH1A1 (0.55) ALDH1A1NPSR1PPARGNCOA2RXFP1
SCHEMBL30656125 0.72 KDM4E (0.58) ALDH1A1NPSR1RXFP1KMT2AKDM4E
SCHEMBL21116532 0.72 ALDH1A1 (0.67) ALDH1A1NPSR1PPARGRXFP1KMT2A
SCHEMBL1143301 0.71 L3MBTL1 (0.60) ALDH1A1NPSR1PPARGNCOA2RXFP1
SCHEMBL12870055 0.71 TERT (0.67) ALDH1A1NPSR1PPARGNCOA2RXFP1
SCHEMBL26632993 0.71 RET (0.70) ALDH1A1NPSR1TP53KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447962-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2024-10-23 EP claimed
WO-2023213761-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2023-11-09 WO claimed
EP-4447962-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2024-10-23 EP disclosed
WO-2023213761-A1 ADENOSINE 2A RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITE DE GENEVE (CH) 2023-11-09 WO disclosed