SCHEMBL20042750

SCHEMBL20042750

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)CCc1cccc(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ENPP2 Q13822 1/20 0.38
TP53 P04637 2/20 0.37
NAAA Q02083 1/20 0.37
KCNQ2 O43526 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL20042830 0.88 ME2 (0.43) MEN1KMT2AMAPTNAAA
SCHEMBL20042748 0.88 NPC1 (0.49) MEN1KMT2AMAPTNAAA
SCHEMBL20042747 0.87 GRIN1 (0.39) KMT2AKCNQ2
SCHEMBL20042673 0.87 MAPK1 (0.38) MAPK1
SCHEMBL20042703 0.85 PTGDR2 (0.37)
SCHEMBL20042688 0.83 C3AR1 (0.45) MEN1KMT2A
SCHEMBL20042690 0.83 GFER (0.41) LMNAMEN1KMT2ANAAA
SCHEMBL20042888 0.83 PTGDR2 (0.35) MAPT
SCHEMBL20042771 0.81 P2RX7 (0.47) LMNAMEN1KMT2AMAPT
SCHEMBL20042730 0.76 NPC1 (0.48) MEN1KMT2AMAPTNAAA

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