SCHEMBL20726519

SCHEMBL20726519

C=C1C(=O)Nc2cc(O)c(-c3ccc(N4CC[C@@H](F)C4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.34
SYK P43405 1/20 0.32
NOTUM Q6P988 2/20 0.32
NEK1 Q96PY6 1/20 0.31
CHEK1 O14757 1/20 0.31
KDR P35968 1/20 0.30
IDH1 O75874 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20726481 0.83 ERBB2 (0.40) CHEK1KDR
SCHEMBL20726482 0.82 ERBB2 (0.42) CHEK1KDR
SCHEMBL20726429 0.81 CHEK1 (0.44) CHEK1
SCHEMBL20726510 0.78 AR (0.41) SYK
SCHEMBL20726485 0.75 ERCC1 (0.40) CHEK1KDR
SCHEMBL20726369 0.75 KDR (0.40) CHEK1KDR
SCHEMBL20726432 0.73 CDK1 (0.36) SYK
SCHEMBL20726500 0.73 CDK1 (0.36) SYK
SCHEMBL20726434 0.71 ERBB2 (0.39) CHEK1
SCHEMBL20726452 0.70 EGFR (0.40) CHEK1KDR

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
EP-3083611-B1 OXINDOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE IN THE TREATMENT OF AMPK-RELATED DISEASES SANOFI SA (FR) 2019-02-13 EP disclosed