SCHEMBL20042694

SCHEMBL20042694

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(F)c(OC(F)(F)F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
MAPK7 Q13164 1/20 0.36
MPL P40238 1/20 0.36
KCNN4 O15554 1/20 0.35
LRRK2 Q5S007 2/20 0.34
GBA1 P04062 3/20 0.34
MGLL Q99685 1/20 0.34
MTHFD1 P11586 1/20 0.34
MTHFD2 P13995 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR6 P46095 1/20 0.34
PRLHR P49683 1/20 0.33

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
SCHEMBL20042780 0.93 P2RX7 (0.43) P2RX7MAPK7GBA1MGLLGPR6
SCHEMBL20042765 0.88 P2RX7 (0.42) P2RX7MAPK7LRRK2MGLLHPGD
SCHEMBL20042666 0.86 KMT2A (0.46) P2RX7GBA1CNR1CNR2GPR55
SCHEMBL20042705 0.85 EPHX2 (0.45) P2RX7MAPK7MGLLPRLHR
SCHEMBL20042836 0.85 P2RX7 (0.43) P2RX7GBA1CNR1CNR2GPR55
SCHEMBL20042667 0.84 TACR3 (0.46) P2RX7TACR3
SCHEMBL20042823 0.83 P2RX7 (0.45) P2RX7GBA1CNR1CNR2GPR55
SCHEMBL20042754 0.82 MEN1 (0.41) P2RX7KDM4EHPGDTSHRCASP1
SCHEMBL20042792 0.82 TACR3 (0.46) P2RX7CNR1CNR2GPR55HPGD
SCHEMBL20042861 0.81 P2RX7 (0.39) P2RX7MAPK7MGLLKDM4EHPGD

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