SCHEMBL20214501

SCHEMBL20214501

COc1ccc2c(c1)CCCN(C)C2=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.51
DRD4 P21917 5/20 0.51
DRD1 P21728 6/20 0.50
DRD5 P21918 5/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
AOC3 Q16853 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
METAP1 P53582 1/20 0.45
GRM5 P41594 1/20 0.45

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
SCHEMBL2204112 0.91 MEN1 (0.62) MEN1KMT2ADRD2DRD3DRD4
SCHEMBL2062473 0.88 MEN1 (0.51) MEN1KMT2ADRD2DRD3DRD4
SCHEMBL29261689 0.82 AOC3 (0.49) MEN1KMT2APRMT5WDR77AOC3
SCHEMBL6071362 0.81 PRMT5 (0.57) DRD2DRD3DRD4DRD1DRD5
SCHEMBL30021259 0.81 METAP1 (0.50) DRD2DRD3DRD1DRD5PRMT5
SCHEMBL8222715 0.81 METAP1 (0.50) DRD2DRD3DRD1DRD5PRMT5
SCHEMBL10196887 0.80 GRM5 (0.48) MEN1KMT2AAOC3HTR2AHTR2C
SCHEMBL17797622 0.78 CASP1 (0.50) MEN1KMT2AAOC3HSD17B10GRM5
SCHEMBL31438780 0.78 MEN1 (0.62) MEN1KMT2ADRD2DRD3DRD4
SCHEMBL17797550 0.78 SRD5A1 (0.48) MEN1KMT2APRMT5WDR77AOC3

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-3548479-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-09 EP disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed