SCHEMBL29638342

SCHEMBL29638342

COC(=O)c1ccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPK1 P28482 3/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 1/20 0.38
TYK2 P29597 3/20 0.37
JAK1 P23458 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC2A1 P11166 1/20 0.36
MITF O75030 1/20 0.35

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
SCHEMBL24557281 1.00 KMT2A (0.39) KMT2AMAPK1USP2TSHRSMN1; SMN2
SCHEMBL29638384 0.89 AKR1C3 (0.39) HPGDPOLBAKR1C3TYK2JAK1
SCHEMBL29638437 0.85 HPGD (0.40) KMT2ASMN1; SMN2KDM4EMEN1HPGD
SCHEMBL29638464 0.85 NPC1 (0.41) KMT2ATSHRMEN1HPGDMAPT
SCHEMBL24557258 0.85 NPC1 (0.41) KMT2ATSHRMEN1HPGDMAPT
SCHEMBL29638414 0.84 TYK2 (0.35) HPGDMAPTPOLBAKR1C3TYK2
SCHEMBL29638472 0.84 POLB (0.39) MAPK1MAPTPOLBTYK2L3MBTL1
SCHEMBL24557251 0.82 JAK2 (0.37) HPGDMAPTTYK2JAK1
SCHEMBL24557266 0.82 JAK1 (0.41) HPGDTYK2JAK1
SCHEMBL29638316 0.82 JAK1 (0.41) HPGDTYK2JAK1

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