SCHEMBL20042824

SCHEMBL20042824

CN(C)c1nc(C2CC2)nc2c1CN(C(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.40
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PRLHR P49683 4/20 0.39
MGLL Q99685 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GLA P06280 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
SCHEMBL20042719 0.81 HSD17B10 (0.46) PROKR1KMT2AHSD17B10MGLLMAPT
SCHEMBL20042749 0.71 PKM (0.43) KMT2AMAPTPOLB
SCHEMBL20042862 0.71 HPGD (0.48) KMT2AMAPT
SCHEMBL20042795 0.70 HPGD (0.46) PDE10A
SCHEMBL20042722 0.70 ALDH1A1 (0.43) KMT2AMGLL
SCHEMBL20042751 0.68 HSD17B10 (0.49) KMT2AHSD17B10MGLLPOLB
SCHEMBL20042980 0.68 LSS (0.50) KMT2AHSD17B10PRLHRMAPTPOLB
SCHEMBL20042920 0.68 GRM5 (0.41) PROKR1MGLL
SCHEMBL20042687 0.68 HSD17B10 (0.51) KMT2AHSD17B10MGLLMAPTPOLB
SCHEMBL20042725 0.67 PDE2A (0.41) PROKR1MGLLPDE10A

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed