SCHEMBL30656237

SCHEMBL30656237

CN1CCN(c2nc(N)c(C#N)cc2C#N)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
KDM4E B2RXH2 9/20 0.60
HPGD P15428 4/20 0.60
TSHR P16473 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 1/20 0.57
USP2 O75604 1/20 0.56
CLK1 P49759 1/20 0.56
CASP1 P29466 1/20 0.53
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30656285 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30656049 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30656153 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21561047 0.78 KMT2A (0.67) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30852648 0.77 KDM4E (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL23570924 0.74 KMT2A (0.61) ALDH1A1KMT2AMEN1RXFP1KDM4E
SCHEMBL18117028 0.73 KDM4E (0.51) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL27883168 0.71 KDM4E (0.57) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4765249 0.71 SMN1; SMN2 (0.61) ALDH1A1KMT2AMEN1KDM4EHPGD

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
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