SCHEMBL29638310

SCHEMBL29638310

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(OC(F)F)c2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TYK2 P29597 7/20 0.36
PIK3CA P42336 2/20 0.36
PRKDC P78527 1/20 0.36
JAK1 P23458 1/20 0.34
RET P07949 1/20 0.34
TP53 P04637 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
RXRA P19793 1/20 0.33
MAPT P10636 1/20 0.32
PLK1 P53350 1/20 0.32
DAO P14920 1/20 0.32
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32
SCN9A Q15858 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
SCHEMBL29638482 0.92 TYK2 (0.35) ALDH1A1POLBPKMTYK2JAK1
SCHEMBL29638345 0.91 GABRA1 (0.39) ALDH1A1POLBPKMTYK2PIK3CA
SCHEMBL24557356 0.89 PHGDH (0.36) TYK2PIK3CAPRKDCJAK1TP53
SCHEMBL29638350 0.89 PHGDH (0.36) TYK2PIK3CAPRKDCJAK1TP53
SCHEMBL29638404 0.89 TYK2 (0.40) ALDH1A1TYK2PIK3CAPRKDCJAK1
SCHEMBL24557308 0.89 TYK2 (0.40) ALDH1A1TYK2PIK3CAPRKDCJAK1
SCHEMBL24557263 0.86 TYK2 (0.39) ALDH1A1POLBPKMTYK2JAK1
SCHEMBL29638451 0.86 TYK2 (0.39) ALDH1A1POLBPKMTYK2JAK1
SCHEMBL24557361 0.85 MAPT (0.45) POLBTYK2PRKDCMAPTPLK1
SCHEMBL29638475 0.85 AXL (0.39) TYK2

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