SCHEMBL25959503

SCHEMBL25959503

CC(=O)NCCCCOc1cccc2nc(N)c3nc(CC#N)n(C)c3c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.40
MTNR1A P48039 3/20 0.39
PIK3CD O00329 2/20 0.38
PIK3R2 O00459 2/20 0.38
PIK3CG P48736 2/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MCHR1 Q99705 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1B P49286 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL30662174 0.87 TLR7 (0.52) TLR7MTNR1ARAB9AATMKDM4E
SCHEMBL21712441 0.87 TLR7 (0.52) TLR7MTNR1ARAB9AATMKDM4E
SCHEMBL21712415 0.84 TLR7 (0.53) TLR7MTNR1AKDM4EALDH1A1HPGD
SCHEMBL30662177 0.84 TLR7 (0.53) TLR7MTNR1AKDM4EALDH1A1HPGD
SCHEMBL26859450 0.79 TLR7 (0.46) TLR7
SCHEMBL21712318 0.76 TLR7 (0.51) TLR7
SCHEMBL30662188 0.76 TLR7 (0.51) TLR7
SCHEMBL21712410 0.76 TLR7 (0.51) TLR7
SCHEMBL25958478 0.75 MTNR1A (0.45) TLR7MTNR1ASMN1; SMN2MTNR1B
SCHEMBL21712431 0.73 TLR7 (0.50) TLR7

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
EP-3615539-B1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-08-09 EP disclosed