SCHEMBL19980140

SCHEMBL19980140

CNc1ccc(C(F)(F)F)cc1CCCC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
APP P05067 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLK1 P53350 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19980298 0.78 MAPK1 (0.38) KIF11APPTLR2TLR1HTR2A
SCHEMBL20344472 0.78 STAT3 (0.33) MEN1KMT2AMAPK1POLBMAPT
SCHEMBL19980149 0.77 CYP3A4 (0.35) PPARGPPARDPPARAGAACYP2D6
SCHEMBL20344524 0.77 KIF11 (0.40) KIF11APPTLR2TLR1HTR2A
SCHEMBL19980152 0.73 TMEM97 (0.38) SLC6A4MAPK1HSD17B10POLBMAPT
SCHEMBL22048143 0.71 KDM4E (0.51) MEN1KMT2AMAPK1TSHRHSD17B10
SCHEMBL27781635 0.71 HTR2A (0.39) KIF11HTR2ASLC6A4KCNH2MEN1
SCHEMBL8226773 0.71 DAO (0.40) KIF11HTR2ASLC6A4KCNH2PPARG
SCHEMBL3650521 0.70 KIF11 (0.43) KIF11APPTLR2TLR1MEN1
SCHEMBL3244845 0.70 TAAR1 (0.52) DAO

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 4 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-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed