SCHEMBL29638345

SCHEMBL29638345

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(OC(F)F)cc2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
PIK3CA P42336 3/20 0.37
PRKDC P78527 3/20 0.37
RET P07949 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
TYK2 P29597 4/20 0.34
MTOR P42345 2/20 0.33
TDP2 O95551 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 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
SCHEMBL29638310 0.91 ALDH1A1 (0.40) PIK3CAPRKDCRETMAPTALDH1A1
SCHEMBL29638472 0.87 POLB (0.39) GABRA1GABRG2GABRB3GABRA3PIK3CA
SCHEMBL24557273 0.85 MAPT (0.39) PIK3CAMAPTTYK2
SCHEMBL29638466 0.85 MAPT (0.39) PIK3CAMAPTTYK2
SCHEMBL29638437 0.84 HPGD (0.40) MAPTALDH1A1TYK2HTTMEN1
SCHEMBL24557258 0.84 NPC1 (0.41) MAPTALDH1A1POLBTYK2MEN1
SCHEMBL29638464 0.84 NPC1 (0.41) MAPTALDH1A1POLBTYK2MEN1
SCHEMBL29638468 0.83 TRPV1 (0.39) MAPTTYK2SMN1; SMN2
SCHEMBL29638414 0.83 TYK2 (0.35) MAPTPOLBTYK2HPGD
SCHEMBL24557281 0.82 KMT2A (0.39) MAPTALDH1A1POLBTYK2MEN1

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