SCHEMBL20042653

SCHEMBL20042653

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
NR4A1 P22736 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GBA1 P04062 5/20 0.32
GPR55 Q9Y2T6 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
RECQL P46063 1/20 0.32
PRLHR P49683 2/20 0.31
GPR6 P46095 1/20 0.31
MTOR P42345 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
SCHEMBL20042796 0.85 P2RX7 (0.38) P2RX7KDM4ETSHRHPGDHSD17B10
SCHEMBL20042794 0.84 KDM4E (0.50) P2RX7KDM4EHPGDRECQL
SCHEMBL20042917 0.83 P2RX7 (0.39) P2RX7CHRM2CHRM4KDM4ELMNA
SCHEMBL20042911 0.82 P2RX7 (0.39) P2RX7CHRM2CHRM4KDM4EHPGD
SCHEMBL20042829 0.82 P2RX7 (0.41) P2RX7KDM4ETSHRHPGDCASP1
SCHEMBL20042743 0.82 P2RX7 (0.40) P2RX7CHRM4KDM4ETSHRHPGD
SCHEMBL20042756 0.81 P2RX7 (0.38) P2RX7KDM4ETSHRLMNANR4A1
SCHEMBL20042671 0.81 P2RX7 (0.45) P2RX7TSHRHPGDSMN1; SMN2GBA1
SCHEMBL20042836 0.81 P2RX7 (0.43) P2RX7TSHRHPGDSMN1; SMN2GBA1
SCHEMBL20042689 0.80 P2RX7 (0.39) P2RX7CASP1CASP7HSD17B10SMN1; SMN2

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