SCHEMBL29638432

SCHEMBL29638432

O=c1[nH]n(-c2cccc(-c3ncc(F)cn3)c2)c2cc(Cl)ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CHEK1 O14757 1/20 0.33
HPGDS O60760 3/20 0.32
LDHA P00338 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL29638328 0.77 TYK2 (0.36)
SCHEMBL29638428 0.76 CYP1A2 (0.44) HPGDMAPTMEN1KMT2ACYP1A2
SCHEMBL29638492 0.68 BTK (0.48)
SCHEMBL29638327 0.68 CCNA2 (0.40) HPGDMAPTCYP1A2CYP2C19CCNA2
SCHEMBL29638458 0.66 MAPT (0.38) HPGDMAPTMEN1KMT2ACYP1A2
SCHEMBL29638318 0.65 BTK (0.53) HPGDLDHATSHR
SCHEMBL24557272 0.65 BTK (0.45) MAPT
SCHEMBL29638577 0.65 BTK (0.43) HPGD
SCHEMBL24557295 0.65 BTK (0.43) HPGD
SCHEMBL19493638 0.64 KDM4E (0.37) HPGDMAPTMEN1KMT2ACYP1A2

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