SCHEMBL17845995

SCHEMBL17845995

Cn1ncc2cc(Cl)nc(C3OC3CCCC(OC(N)=O)c3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL17846005 0.66 MAPK1 (0.44)
SCHEMBL17846154 0.66 MAPK1 (0.40)
SCHEMBL1838455 0.65 ADRB1 (0.48) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL17846168 0.65 MAPK1 (0.39)
SCHEMBL17846135 0.64 MAPK1 (0.42)
SCHEMBL1837158 0.64 ALDH1A1 (0.48) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL1840538 0.64 ALDH1A1 (0.48) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL1838922 0.64 ALDH1A1 (0.48) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL4311670 0.64 ADRB1 (0.46) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL19348964 0.64 MAPK1 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed