SCHEMBL31280409

SCHEMBL31280409

CCC(F)(F)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.47
CYP3A4 P08684 14/20 0.47
CYP2C19 P33261 13/20 0.47
CYP2D6 P10635 13/20 0.47
TSHR P16473 12/20 0.47
ALOX15 P16050 5/20 0.47
USP2 O75604 4/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP2C9 P11712 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HIF1A Q16665 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APLNR P35414 1/20 0.44
CLK4 Q9HAZ1 7/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL30756403 0.84 KDM4E (0.43) MEN1KMT2AGAATP53MAPT
SCHEMBL31280463 0.79 ABL1 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27030232 0.76 KDM4C (0.57) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25703791 0.76 KDM4C (0.57) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL16993397 0.75 MAPT (0.65) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25130650 0.74 TSHR (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL29119713 0.74 KDM4C (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22892765 0.73 NR3C1 (0.51) KDM4CMEN1KMT2AMAPT
SCHEMBL25131153 0.73 APLNR (0.54) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30205616 0.73 APLNR (0.54) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed