SCHEMBL29638384

SCHEMBL29638384

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(C(N)=O)cc2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
NNMT P40261 2/20 0.38
TYK2 P29597 3/20 0.34
JAK1 P23458 2/20 0.34
SYK P43405 2/20 0.34
TP53 P04637 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP3K12 Q12852 1/20 0.34
CSF1R P07333 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APP P05067 1/20 0.32
LCK P06239 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DNMT1 P26358 1/20 0.32
DNMT3L Q9UJW3 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL29638325 0.90 TP53 (0.39) AKR1C3NNMTTYK2JAK1TP53
SCHEMBL29638342 0.89 KMT2A (0.39) AKR1C3TYK2JAK1TP53POLB
SCHEMBL24557281 0.89 KMT2A (0.39) AKR1C3TYK2JAK1TP53POLB
SCHEMBL29638437 0.86 HPGD (0.40) TYK2TP53GAAALDH1A1HPGD
SCHEMBL29638464 0.86 NPC1 (0.41) AKR1C3TYK2TP53POLBGAA
SCHEMBL24557258 0.86 NPC1 (0.41) AKR1C3TYK2TP53POLBGAA
SCHEMBL29638414 0.85 TYK2 (0.35) AKR1C3TYK2JAK1POLBGAA
SCHEMBL24557251 0.83 JAK2 (0.37) TYK2JAK1MAP3K12HPGDJAK2
SCHEMBL29638468 0.83 TRPV1 (0.39) TYK2SYKMAP3K12GAACDK4
SCHEMBL29638415 0.83 JAK2 (0.37) TYK2JAK1MAP3K12HPGDJAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed