SCHEMBL19980315

SCHEMBL19980315

CCCCc1ccc(C)c(F)c1NC=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.39
CYP3A4 P08684 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTRC Q99895 1/20 0.33
METAP2 P50579 1/20 0.33
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL20344481 0.81 LMNA (0.32) TYR
SCHEMBL19980333 0.78 SLC6A2 (0.36)
SCHEMBL12238347 0.75 TYR (0.46) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL23189041 0.73
SCHEMBL19659412 0.73 TYR (0.36) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL11056087 0.72 TYR (0.36) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL19659708 0.71 TYR (0.37) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL20344640 0.71 ALOX15 (0.42) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL24620946 0.70 TYR (0.39) TYRCYP3A4MEN1TP53ALOX5
SCHEMBL19196917 0.70 TYR (0.46) TYRCYP3A4MEN1TP53ALOX5

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
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed