SCHEMBL21568207

SCHEMBL21568207

Cc1ccc(C#N)cc1NC(=O)Nc1nc2ccc(Cl)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ P2RY1 P47900 14/20 0.45
▸ ABL1 P00519 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ P2RX1 P51575 1/20 0.38

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
SCHEMBL23256879 0.89 P2RY1 (0.50) DYRK1AMAPTKMT2AP2RY1GSK3B
SCHEMBL21568196 0.88 P2RY1 (0.47) DYRK1AMEN1KMT2AP2RY1GSK3B
SCHEMBL21568098 0.87 DYRK1A (0.46) DYRK1AMAPTKMT2AP2RY1GSK3B
SCHEMBL23256876 0.82 MAPT (0.53) DYRK1AMEN1LMNAPOLBMAPT
SCHEMBL23256888 0.81 NSD2 (0.53) DYRK1AMEN1LMNAPOLBMAPT
SCHEMBL21568376 0.81 P2RY1 (0.43) DYRK1AP2RY1GSK3BIRAK4P2RX1
SCHEMBL23256634 0.79 P2RY1 (0.42) DYRK1AP2RY1GSK3B
SCHEMBL21569167 0.79 CXCR2 (0.50) DYRK1AMEN1LMNAPOLBMAPT
SCHEMBL23256633 0.77 P2RY1 (0.45) MEN1POLBKMT2AP2RY1NPC1
SCHEMBL23256878 0.77 CXCR2 (0.41) DYRK1AMEN1KMT2AP2RY1NPC1

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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