SCHEMBL25430331

SCHEMBL25430331

Cc1ccc(N)cc1Nc1ccc2c(c1)NC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.44
AHR P35869 3/20 0.42
CMA1 P23946 2/20 0.42
EIF2AK2 P19525 1/20 0.41
PKM P14618 3/20 0.41
CRBN Q96SW2 2/20 0.40
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TDP2 O95551 1/20 0.38
BCL6 P41182 1/20 0.38
KIF11 P52732 1/20 0.38
PDK2 Q15119 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL30623134 1.00 CA9 (0.44) CA9AHRCMA1EIF2AK2PKM
SCHEMBL26023073 0.86 AHR (0.43) AHRCMA1EIF2AK2PKMCRBN
SCHEMBL395800 0.79 KIF11 (0.52) CA9AHRCMA1EIF2AK2CRBN
Methylamine SCHEMBL28015139 0.77 CA9 (0.66) CA9AHRCMA1EIF2AK2CRBN
SCHEMBL398137 0.77 CA9 (0.70) CA9AHRCMA1EIF2AK2CRBN
SCHEMBL30468520 0.77 CA9 (0.70) CA9AHRCMA1EIF2AK2CRBN
Hydrochloric Acid SCHEMBL9833199 0.75 CA9 (0.68) CA9AHRCMA1EIF2AK2CRBN
SCHEMBL30185072 0.73 CRBN (0.47) AHRCMA1EIF2AK2PKMCRBN
SCHEMBL15521357 0.73 AHR (0.56) AHRCMA1EIF2AK2PKMCRBN
SCHEMBL31139506 0.72 CRBN (0.60) CRBNMAPTSMYD3

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-4475837-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2024-12-18 EP disclosed
WO-2023154896-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed
WO-2023154896-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed