SCHEMBL19980436

SCHEMBL19980436

CCCOc1ccc(F)cc1N(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
CYP19A1 P11511 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL19980139 0.82 CSNK2A1 (0.40) CYP19A1MAPTKDM4EALDH1A1POLB
SCHEMBL22048701 0.82 KMT2A (0.47) HTR2CHTR2BMAPTKDM4EALDH1A1
SCHEMBL19655565 0.81 ALDH1A1 (0.42) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL21156315 0.80 ALDH1A1 (0.35) CYP19A1MAPTKDM4EALDH1A1POLB
SCHEMBL19980376 0.79 CYP19A1 (0.43) CYP19A1MAPTKDM4EALDH1A1POLB
SCHEMBL20344564 0.78 CYP19A1 (0.35) CYP19A1MAPTKDM4EALDH1A1POLB
SCHEMBL20344535 0.77 CYP1A2 (0.44) MAPTKDM4EALDH1A1POLBHSD17B10
SCHEMBL23337299 0.77 CYP19A1 (0.35) CYP19A1MAPTKDM4EALDH1A1POLB
SCHEMBL27799956 0.77 HTR2C (0.41) HTR2CHTR2BHTR2AMAPTKDM4E
SCHEMBL23337336 0.75 HPGD (0.33) CYP19A1MAPTKDM4EALDH1A1POLB

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