SCHEMBL30656153

SCHEMBL30656153

N#Cc1cc(C#N)c(N2CCOCC2)nc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 3/20 0.58
RXFP1 Q9HBX9 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HPGD P15428 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 3/20 0.56
GAA P10253 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.53
CLK1 P49759 1/20 0.52
CTSK P43235 2/20 0.51
IKBKB O14920 1/20 0.51
ADORA2A P29274 1/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL30656216 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ARXFP1MEN1NPC1
SCHEMBL30656285 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ARXFP1MEN1NPC1
SCHEMBL30656049 0.84 ALDH1A1 (0.60) ALDH1A1KMT2ARXFP1MEN1NPC1
SCHEMBL30656237 0.81 ALDH1A1 (0.61) ALDH1A1KMT2ARXFP1MEN1NPC1
SCHEMBL30852546 0.77 ALDH1A1 (0.51) ALDH1A1KMT2ARXFP1HPGDKDM4E
SCHEMBL21561035 0.77 ALDH1A1 (0.63) ALDH1A1KMT2ARXFP1MEN1HPGD
SCHEMBL25598894 0.77 IKBKB (0.56) ALDH1A1KMT2ARXFP1HPGDKDM4E
SCHEMBL14923786 0.77 ALDH1A1 (0.51) ALDH1A1KMT2ARXFP1HPGDKDM4E
SCHEMBL19051440 0.75 RXFP1 (0.65) ALDH1A1KMT2ARXFP1MEN1NPC1
SCHEMBL1461650 0.74 PIK3CA (0.54) ALDH1A1KMT2AHPGDKDM4EHSD17B10

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