SCHEMBL31497296

SCHEMBL31497296

CC(C)(C)OC(=O)Nc1cc(F)cnc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SYK P43405 1/20 0.41
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
METAP1 P53582 1/20 0.38
RORC P51449 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
ATR Q13535 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL21783538 0.87 CYP17A1 (0.40) CYP17A1RXFP1SYKKCNQ4KCNQ5
SCHEMBL31093805 0.85 CYP17A1 (0.42) CYP17A1RXFP1SYKKCNQ4KCNQ5
SCHEMBL15223288 0.85 ATR (0.44) CYP17A1RXFP1SYKKCNQ4KCNQ5
SCHEMBL23500611 0.83 ATR (0.42) CYP17A1RXFP1SYKKCNQ4KCNQ5
SCHEMBL5456915 0.79 SYK (0.46) CYP17A1SYKRORCATRGSK3B
SCHEMBL22049474 0.78 AAK1 (0.43) CYP17A1RXFP1SYKGABRA1GABRG2
SCHEMBL29439040 0.78 AAK1 (0.43) CYP17A1RXFP1SYKGABRA1GABRG2
SCHEMBL7412985 0.78 SYK (0.42) CYP17A1SYKRORCATRGSK3B
SCHEMBL23508845 0.77 IDO1 (0.36) CYP17A1SYKKCNQ4KCNQ5RORC
SCHEMBL15583603 0.77 AAK1 (0.41) CYP17A1RXFP1SYKKCNQ4KCNQ5

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-2025097025-A1 PROTEIN KINASE C (PKC) THETA INHIBITOR COMPOUNDS EVOMMUNE, INC. (US) 2025-05-08 WO disclosed