SCHEMBL31272178

SCHEMBL31272178

COC(=O)c1ccc(Nc2nc(N)nn2Cc2cccc(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
POLB P06746 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
ROCK1 Q13464 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
MAPT P10636 3/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
P2RX3 P56373 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL31271953 0.85 MEN1 (0.43) RAB9AGAAPOLBMAPTMEN1
SCHEMBL31271744 0.84 MEN1 (0.48) RAB9APOLBMAPTCYP19A1MEN1
SCHEMBL31271556 0.84 JAK1 (0.53) RAB9AGAAPOLBJAK1TYK2
SCHEMBL31271503 0.83 MEN1 (0.49) GAAPOLBMAPTMEN1KMT2A
SCHEMBL31272070 0.82 KDR (0.44) RAB9APOLBMAPTCYP19A1MEN1
SCHEMBL31271824 0.73 NR1H2 (0.49) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL4748570 0.71 CA1 (0.69) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL31271506 0.70 MET (0.47) RAB9AGAAPOLBMAPTMEN1
SCHEMBL17731599 0.70 MEN1 (0.48) GAAPOLBMAPTMEN1KMT2A
SCHEMBL31272077 0.69 BACE1 (0.45) RAB9AGAAPOLBMAPTMEN1

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