SCHEMBL25801892

SCHEMBL25801892

CNc1nc2c(C(C)C)ccc(F)c2o1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
FBP1 P09467 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL26580905 0.79 GPR55 (0.32) ELANE
SCHEMBL24351779 0.78 RPS6KA2 (0.33)
SCHEMBL27052027 0.67 ALDH1A1 (0.33)
SCHEMBL14327833 0.66 MTNR1A (0.31)
SCHEMBL26580906 0.66 GPR55 (0.32) ELANEFBP1HDAC6
SCHEMBL24351118 0.65 FBP1 (0.33) FBP1HDAC6
SCHEMBL12032783 0.64 GPR55 (0.35) ELANEFBP1
SCHEMBL19808453 0.64 ELANE (0.44) ELANEFBP1
SCHEMBL25113501 0.62 FBP1 (0.36) FBP1HDAC6
SCHEMBL24251928 0.60 GABRP (0.36) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed