SCHEMBL29638346

SCHEMBL29638346

Cc1ccccc1-n1[nH]c(=O)c2cnc(NC(=O)C3CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYK2 P29597 3/20 0.43
MAP4K1 Q92918 3/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL24557316 1.00 ABL1 (0.47) ABL1NPC1RAB9ASMN1; SMN2TYK2
SCHEMBL29638315 0.88 ABL1 (0.46) ABL1NPC1RAB9ASMN1; SMN2TYK2
SCHEMBL24557318 0.88 ABL1 (0.46) ABL1NPC1RAB9ASMN1; SMN2TYK2
SCHEMBL29638378 0.87 TYK2 (0.46) ABL1SMN1; SMN2TYK2
SCHEMBL29638360 0.86 TYK2 (0.50) ABL1NPC1RAB9ASMN1; SMN2TYK2
SCHEMBL29638385 0.84 ABL1 (0.47) ABL1NPC1RAB9AMAP4K1
SCHEMBL24557310 0.79 PIK3CD (0.46) ABL1MAP4K1
SCHEMBL29638382 0.78 ABL1 (0.53) ABL1NPC1RAB9ATYK2PKM
SCHEMBL24557247 0.78 ABL1 (0.48) ABL1NPC1RAB9AMAP4K1LMNA
SCHEMBL29638459 0.78 ABL1 (0.55) ABL1LMNA

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