SCHEMBL19061889

SCHEMBL19061889

c1cncc(CN2CN=C(SCc3cccc4ccccc34)NC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL19061884 0.85 KMT2A (0.49) PKMHPGDHSD17B10MEN1KMT2A
SCHEMBL19061452 0.85 PKM (0.48) PKMHSD17B10MEN1KMT2APOLB
SCHEMBL19061593 0.85 ALDH1A1 (0.46) PKMHPGDHSD17B10MEN1KMT2A
SCHEMBL19019922 0.84 MAPK1 (0.50) PKMGAAHSD17B10MEN1KMT2A
SCHEMBL19062036 0.83 POLB (0.44) PKMHSD17B10MEN1KMT2APOLB
SCHEMBL19061731 0.83 POLB (0.40) PKMHSD17B10MEN1KMT2APOLB
SCHEMBL19061730 0.82 KDM4E (0.41) PKMHSD17B10MEN1KMT2APOLB
SCHEMBL22263137 0.79 MAPK1 (0.50) GAAMEN1KMT2AMAPK1ALDH1A1
SCHEMBL19019917 0.79 TDP1 (0.46) PKMHPGDHSD17B10MEN1KMT2A
SCHEMBL19061885 0.79 MEN1 (0.52) PKMHPGDHSD17B10MEN1KMT2A

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
EP-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 — — EP disclosed
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