SCHEMBL21568130

SCHEMBL21568130

Cc1ccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.65
▸ LMNA P02545 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ ABL1 P00519 1/20 0.53
▸ CSNK1D P48730 1/20 0.52
▸ CSNK1G2 P78368 1/20 0.52
▸ DYRK1B Q9Y463 2/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL23256895 0.89 DYRK1A (0.68) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL23256883 0.85 DYRK1A (0.66) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL23256871 0.84 SMN1; SMN2 (0.66) DYRK1AMAPTMEN1KMT2AGSK3B
SCHEMBL21568073 0.84 DYRK1A (0.62) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL21568123 0.84 DYRK1A (0.65) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL26034949 0.84 DYRK1A (0.61) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL23256870 0.84 DYRK1A (0.70) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL21568127 0.83 CSNK1D (0.72) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL23256894 0.83 DYRK1A (0.64) DYRK1ALMNAPOLBMAPTMEN1
SCHEMBL21568318 0.82 DYRK1A (0.57) DYRK1ALMNAPOLBMAPTMEN1

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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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