SCHEMBL20416631

SCHEMBL20416631

COC(=O)C(C)(C)Nc1cccc(CN=[N+]=[N-])n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
NR3C2 P08235 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
CNR2 P34972 4/20 0.33
LATS1 O95835 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20416580 0.85 MEN1 (0.42) MEN1OPRM1OPRD1KMT2ANPSR1
SCHEMBL20436544 0.81 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL20416632 0.80 MEN1 (0.41) MEN1OPRM1OPRD1KMT2AMAPK1
SCHEMBL20416907 0.79 MEN1 (0.35) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL20416576 0.75 MRGPRX4 (0.45) GAANPC1RAB9AALDH1A1
SCHEMBL20416635 0.74 MEN1 (0.37) MEN1OPRM1OPRD1KMT2AMAPK1
SCHEMBL20416590 0.74 ALOX15 (0.33) MEN1OPRM1OPRD1KMT2AMAPK1
SCHEMBL20442121 0.73 KDM4E (0.40) KMT2ANPSR1KDM4EALDH1A1
SCHEMBL20436537 0.73 CACNA1C (0.45) KDM4EALDH1A1
SCHEMBL17258455 0.72 AOC3 (0.33) MEN1KMT2ANPSR1NPC1RAB9A

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-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 WO disclosed