SCHEMBL31272017

SCHEMBL31272017

Nc1nc(Nc2ccccc2)n(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.47
POLB P06746 1/20 0.46
APP P05067 2/20 0.45
CXCR2 P25025 1/20 0.45
KCNJ6 P48051 2/20 0.44
KCNJ5 P48544 2/20 0.44
KCNJ3 P48549 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
FAAH O00519 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL31271506 0.84 MET (0.47) POLBMAPTMEN1KMT2AADORA3
SCHEMBL31271503 0.82 MEN1 (0.49) POLBAPPKCNJ6KCNJ5KCNJ3
SCHEMBL12780749 0.82 CXCR2 (0.47) CXCR2MAPTMEN1KMT2AADORA3
SCHEMBL31272191 0.81 IDH2 (0.53) IDH2POLBAPPKCNJ6KCNJ5
SCHEMBL17731532 0.80 POLB (0.50) POLBAPPADORA3ADORA2AADORA2B
SCHEMBL31271824 0.79 NR1H2 (0.49) APPFAAHMAPTMEN1KMT2A
SCHEMBL31272162 0.75 JAK2 (0.47) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL31271953 0.75 MEN1 (0.43) POLBAPPMAPTMEN1KMT2A
SCHEMBL31271817 0.73 METAP2 (0.44) POLBMAPTADORA3ADORA2AADORA1
SCHEMBL13977974 0.73 MAPT (0.53) IDH2MAPTKMT2AKDM4ELMNA

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-4698519-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES Centre National de la Recherche Scientifique (FR) 2026-02-25 EP claimed
WO-2024218236-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-10-24 WO claimed
EP-4698519-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES Centre National de la Recherche Scientifique (FR) 2026-02-25 EP disclosed
WO-2024218236-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-10-24 WO disclosed