SCHEMBL19145463

SCHEMBL19145463

Nc1ccc2c(cnn2CC(=O)N2CCN(O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ F2 P00734 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ IKBKE Q14164 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ CXCR3 P49682 1/20 0.38
▸ MAPT P10636 3/20 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
SCHEMBL22110566 0.83 POLB (0.54) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL13024644 0.83 MAPT (0.58) POLBTSHRMAPTTP53SMN1; SMN2
SCHEMBL20676094 0.81 POLB (0.47) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL27730024 0.74 CHEK1 (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13024651 0.74 MAPT (0.58) POLBTSHRMAPTTP53SMN1; SMN2
SCHEMBL655559 0.74 CHEK1 (0.54) HSD17B10CHEK1AURKADAPK3CSNK1A1
SCHEMBL26356567 0.74 CHEK1 (0.54) NPSR1CHEK1AURKADAPK3CSNK1A1
SCHEMBL13727580 0.74 CHEK1 (0.54) POLBTSHRL3MBTL1CHEK1AURKA
SCHEMBL19128045 0.71 HDAC1 (0.48) F2CHEK1AURKADAPK3CSNK1A1
SCHEMBL2925874 0.69 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A

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-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 — — WO disclosed
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