SCHEMBL20042844

SCHEMBL20042844

Cc1nc2c(c(N3CCC3)n1)C(C)N(C(=O)c1cn[nH]c1)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
ROCK2 O75116 13/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
GHSR Q92847 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL20042742 0.83 PROKR1 (0.35) P2RX7KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20042857 0.82 PROKR1 (0.35) KDM4ESMN1; SMN2PIK3CD
SCHEMBL20042851 0.81 P2RX7 (0.46) P2RX7SMN1; SMN2KMT2A
SCHEMBL20042982 0.81 P2RX7 (0.46) P2RX7SMN1; SMN2KMT2A
SCHEMBL20042958 0.81 TACR3 (0.42)
SCHEMBL20042865 0.81 TACR3 (0.42)
SCHEMBL20042766 0.81 TACR3 (0.36) P2RX7KDM4ESMN1; SMN2
SCHEMBL20042867 0.79 PROKR1 (0.39) KDM4ESMN1; SMN2KMT2AMAPTPIK3CD
SCHEMBL20042896 0.79 GRM5 (0.38) P2RX7
SCHEMBL20042868 0.78 P2RX7 (0.35) P2RX7KDM4ESMN1; SMN2MEN1KMT2A

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