SCHEMBL19619694

SCHEMBL19619694

CCc1cc(NC(C)C)cc2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
NAMPT P43490 1/20 0.33
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PTGES O14684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ELANE P08246 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL18254476 0.78 QPCT (0.33) PNPMEN1KMT2AHTTNAMPT
SCHEMBL9222064 0.74 PNP (0.40) PNPMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7093036 0.72 PNP (0.46) PNPMEN1KMT2AHTTSMN1; SMN2
SCHEMBL18710632 0.72 PNP (0.39) PNPMEN1KMT2A
SCHEMBL7031302 0.72 ADRA2A (0.46)
SCHEMBL24355260 0.69 CTSS (0.39) PNPMEN1KMT2APTGESMAPT
SCHEMBL27472961 0.69 CTNNB1 (0.38) PNPMEN1KMT2AHTTSMN1; SMN2
SCHEMBL17036636 0.68 ADRA2A (0.54) HTTNAMPTEPHX1MAPT
SCHEMBL19619685 0.68 ALDH1A1 (0.38) KMT2AHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL763087 0.65 PARP1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822107-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed