SCHEMBL20042794

SCHEMBL20042794

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1cccc(OC(F)F)c1)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
P2RX7 Q99572 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CFTR P13569 1/20 0.39
F10 P00742 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 2/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL20042796 0.89 P2RX7 (0.38) KDM4ERECQLP2RX7KMT2AMEN1
SCHEMBL20042684 0.85 SMN1; SMN2 (0.52) KDM4EP2RX7HTTALDH1A1HPGD
SCHEMBL20042917 0.85 P2RX7 (0.39) KDM4EP2RX7HTTNPSR1
SCHEMBL20042668 0.85 HPGD (0.51) KDM4EP2RX7KMT2AMEN1HTT
SCHEMBL20042653 0.84 P2RX7 (0.37) KDM4ERECQLP2RX7HPGD
SCHEMBL20042911 0.84 P2RX7 (0.39) KDM4EP2RX7KMT2AMEN1HTT
SCHEMBL20042771 0.83 P2RX7 (0.47) KDM4EP2RX7KMT2AMEN1HTT
SCHEMBL20042721 0.82 GRM5 (0.47) P2RX7KMT2AMEN1CFTRL3MBTL1
SCHEMBL20042652 0.82 P2RX7 (0.66) KDM4EP2RX7KMT2AMEN1GAA
SCHEMBL20042839 0.82 P2RX7 (0.45) KDM4EP2RX7KMT2AMEN1HTT

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