SCHEMBL29638458

SCHEMBL29638458

Cn1cc2ccc(-n3[nH]c(=O)c4cnc(Cl)cc43)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
BRD4 O60885 3/20 0.32
CREBBP Q92793 2/20 0.32
MAT2A P31153 2/20 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
SCHEMBL29638429 0.79 BTK (0.41) MAPK1MAT2A
SCHEMBL29638335 0.78 TYK2 (0.34) MAPTKDM4ENSD2ALDH1A1MAPK1
SCHEMBL29638327 0.72 CCNA2 (0.40) MAPTHPGDCYP1A2CYP2C19
SCHEMBL29638428 0.71 CYP1A2 (0.44) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL19493638 0.70 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL21604599 0.68 KDM4E (0.46) MAPTKDM4ENSD2ALDH1A1MEN1
SCHEMBL29638432 0.66 HPGD (0.41) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL22323295 0.65 KDM4E (0.42) MAPTKDM4ENSD2ALDH1A1MEN1
SCHEMBL29638552 0.64 MGLL (0.38) MAPTALDH1A1HPGDMEN1CYP1A2
SCHEMBL22737499 0.63 KDM4E (0.61) MAPTKDM4ENSD2ALDH1A1HPGD

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