SCHEMBL20042872

SCHEMBL20042872

Cc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
PROKR1 Q8TCW9 7/20 0.43
CHRM4 P08173 1/20 0.40
GBA1 P04062 5/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR55 Q9Y2T6 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CFTR P13569 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL20042743 0.89 P2RX7 (0.40) P2RX7PROKR1CHRM4GBA1SMN1; SMN2
SCHEMBL20042697 0.87 PROKR1 (0.48) P2RX7PROKR1CHRM4LMNASMN1; SMN2
SCHEMBL20043089 0.87 P2RX7 (0.52) P2RX7PROKR1CHRM4LMNASMN1; SMN2
SCHEMBL20042701 0.87 PROKR1 (0.47) P2RX7PROKR1CHRM4LMNASMN1; SMN2
SCHEMBL20042671 0.85 P2RX7 (0.45) P2RX7GBA1SMN1; SMN2GPR55CNR1
SCHEMBL20042668 0.84 HPGD (0.51) P2RX7GBA1LMNASMN1; SMN2
SCHEMBL20042755 0.84 GRM5 (0.43) P2RX7GBA1LMNASMN1; SMN2HSD17B10
SCHEMBL20042776 0.84 P2RX7 (0.41) P2RX7GBA1LMNASMN1; SMN2GPR55
SCHEMBL20042839 0.84 P2RX7 (0.45) P2RX7GBA1SMN1; SMN2GPR55CNR1
SCHEMBL20042817 0.84 PKM (0.44) P2RX7GBA1LMNA

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