SCHEMBL31272191

SCHEMBL31272191

Nc1nc(Nc2ccccc2)nn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.53
APP P05067 2/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
FAAH O00519 1/20 0.43
SLC2A1 P11166 1/20 0.43
CTSC P53634 1/20 0.43
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
JAK1 P23458 1/20 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
SCHEMBL31272179 0.84 CTSC (0.46) APPAURKAMAPTKDM4ELMNA
SCHEMBL12780738 0.84 JAK2 (0.49) JAK2MAPTKDM4EMEN1KMT2A
SCHEMBL31271710 0.82 MEN1 (0.46) APPJAK2MAPTLMNAKCNJ6
SCHEMBL12780742 0.82 JAK2 (0.45) JAK2MAPTLMNAMEN1KMT2A
SCHEMBL31272017 0.81 IDH2 (0.47) IDH2APPMAPTKDM4ELMNA
SCHEMBL17731532 0.80 POLB (0.50) APPKDM4ELMNAPOLBABHD6
SCHEMBL31271747 0.79 JAK2 (0.49) JAK2KDM4EMEN1KMT2AJAK1
SCHEMBL31271928 0.79 USP2 (0.53) JAK2MAPTLMNAFAAHPOLB
SCHEMBL31272007 0.76 MAPT (0.47) APPJAK2MAPTKDM4ELMNA
SCHEMBL31272222 0.75 NPC1 (0.47) APPJAK2MAPTKDM4ELMNA

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