SCHEMBL29638437

SCHEMBL29638437

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
TYK2 P29597 3/20 0.40
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24557298 0.91 TYK2 (0.38) HPGDMAPTTYK2MEN1KMT2A
SCHEMBL29638344 0.91 TYK2 (0.38) HPGDMAPTTYK2MEN1KMT2A
SCHEMBL29638542 0.90 TYK2 (0.37) TYK2MEN1ALDH1A1KMT2AGAA
SCHEMBL24557290 0.90 TYK2 (0.37) TYK2MEN1ALDH1A1KMT2AGAA
SCHEMBL24557361 0.90 MAPT (0.45) HPGDMAPTTYK2MEN1KMT2A
SCHEMBL24557258 0.89 NPC1 (0.41) HPGDMAPTTYK2MEN1ALDH1A1
SCHEMBL29638464 0.89 NPC1 (0.41) HPGDMAPTTYK2MEN1ALDH1A1
SCHEMBL29638414 0.88 TYK2 (0.35) HPGDMAPTTYK2CYP1A2CYP2C19
SCHEMBL24557251 0.87 JAK2 (0.37) HPGDMAPTTYK2CYP1A2CYP2C19
SCHEMBL29638468 0.87 TRPV1 (0.39) MAPTTYK2GAASMN1; SMN2KDM4E

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