SCHEMBL29638418

SCHEMBL29638418

COc1cccc(-n2[nH]c(=O)c3cnc(NC(=O)C4COC4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
GSK3B P49841 2/20 0.44
KMT2A Q03164 4/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL29638382 0.92 ABL1 (0.53) ABL1GSK3BKMT2ATP53NPC1
SCHEMBL29638459 0.82 ABL1 (0.55) ABL1GSK3BKMT2AMEN1
SCHEMBL29638324 0.82 ALKBH5 (0.41) ABL1GSK3BKMT2ATP53NPC1
SCHEMBL29638359 0.80 KDR (0.49) GSK3B
SCHEMBL29638385 0.79 ABL1 (0.47) ABL1GSK3BNPC1RAB9ADYRK1A
SCHEMBL24557247 0.79 ABL1 (0.48) ABL1GSK3BNPC1RAB9ATRPV1
SCHEMBL24557271 0.76 SRC (0.46) KMT2ARAB9AMEN1ALKBH5TYK2
SCHEMBL29638496 0.76 SRC (0.46) KMT2ARAB9AMEN1ALKBH5TYK2
SCHEMBL24557279 0.76 MEN1 (0.42) KMT2ARAB9AMEN1ALKBH5
SCHEMBL29638478 0.76 MEN1 (0.42) KMT2ARAB9AMEN1ALKBH5

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