SCHEMBL30152336

SCHEMBL30152336

C=CC(=O)Nc1ccc(OCC2CCC(F)(F)CC2)c2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.38
▸ KDR P35968 11/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ SCN9A Q15858 4/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ BTK Q06187 3/20 0.34

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
SCHEMBL24968801 1.00 EGFR (0.38) EGFRKDRMAPK3CCNKCDK12
SCHEMBL30152334 0.81 MAPK3 (0.38) EGFRKDRMAPK3CCNKCDK12
SCHEMBL24969039 0.81 MAPK3 (0.38) EGFRKDRMAPK3CCNKCDK12
SCHEMBL24968530 0.79 MAPK3 (0.43) EGFRKDRMAPK3SCN9ASCN5A
SCHEMBL20554317 0.79 PDE4D (0.47) EGFRKDRMAPK3BTK
SCHEMBL24968499 0.77 MAPK3 (0.40) EGFRKDRMAPK3CCNKCDK12
SCHEMBL30152401 0.77 MAPK3 (0.40) EGFRKDRMAPK3CCNKCDK12
SCHEMBL24968804 0.77 CDK2 (0.42) MAPK3SCN9ASCN5A
SCHEMBL30152341 0.77 CDK2 (0.42) MAPK3SCN9ASCN5A
SCHEMBL24968810 0.75 SCN9A (0.41) EGFRCCNKCDK12SCN9ASCN5A

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
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