SCHEMBL29638461

SCHEMBL29638461

O=C(Nc1cc2c(cn1)c(=O)[nH]n2-c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
ABL1 P00519 9/20 0.45
NPY5R Q15761 1/20 0.43
EGFR P00533 1/20 0.41
ERBB4 Q15303 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K1 Q92918 2/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL29638419 0.89 TRPV1 (0.50) ABL1EGFRERBB4TRPV1
SCHEMBL24557310 0.87 PIK3CD (0.46) DEGS1ABL1MAP4K1
SCHEMBL29638393 0.87 GSK3B (0.45) ABL1
SCHEMBL24557275 0.87 GSK3B (0.45) ABL1
SCHEMBL29638385 0.86 ABL1 (0.47) DEGS1ABL1MAP4K1
SCHEMBL29638459 0.83 ABL1 (0.55) ABL1MEN1KMT2A
SCHEMBL24557312 0.83 MAP4K1 (0.48) ABL1MAP4K1
SCHEMBL29638351 0.83 MAP4K1 (0.48) ABL1MAP4K1
SCHEMBL24557299 0.81 MAP4K1 (0.46) ABL1MEN1KMT2AMAP4K1
SCHEMBL29638359 0.81 KDR (0.49)

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