SCHEMBL24968529

SCHEMBL24968529

C=CC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
BRD4 O60885 9/20 0.48
TGM2 P21980 3/20 0.48
EGFR P00533 3/20 0.47
FYN P06241 1/20 0.47
SRC P12931 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
PNLIP P16233 1/20 0.46
ITK Q08881 1/20 0.46

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
SCHEMBL24968520 0.87 FFAR1 (0.55) BRAFKDRBRD4TGM2EGFR
SCHEMBL24969114 0.86 TGM2 (0.57) BRAFKDRBRD4TGM2EGFR
SCHEMBL24968527 0.86 TGM2 (0.60) BRAFKDRBRD4TGM2PNLIP
SCHEMBL24968532 0.84 TGM2 (0.65) BRD4TGM2EGFRPNLIPITK
SCHEMBL20456556 0.83 TGM2 (0.68) KDRTGM2EGFRFYNSRC
SCHEMBL24969112 0.79 FFAR1 (0.53) BRAFKDRBRD4TGM2EGFR
SCHEMBL24968522 0.78 BRD4 (0.52) BRAFKDRBRD4TGM2EGFR
SCHEMBL24968531 0.77 KDR (0.50) BRAFKDRBRD4TGM2EGFR
SCHEMBL5036894 0.77 TGM2 (0.69) KDRTGM2EGFRFYNSRC
SCHEMBL24969518 0.77 BRD4 (0.44) BRAFKDRBRD4TGM2EGFR

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed