SCHEMBL28569899

SCHEMBL28569899

CCCC(c1nc(N)nc(N)n1)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
F2RL1 P55085 10/20 0.34
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL28566835 0.93 CYP1A2 (0.36) FPR2F2RL1TLR8TLR7CYP1A2
SCHEMBL28577410 0.91 CYP1A2 (0.35) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL28569793 0.90 CDK1 (0.36) FPR2F2RL1TLR8CYP1A2CYP3A4
SCHEMBL973379 0.90 CDK1 (0.36) FPR2F2RL1TLR8CYP1A2CYP3A4
SCHEMBL5367788 0.88 TXN (0.34) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL8088802 0.82 FPR2 (0.43) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL6901700 0.80 FPR2 (0.32) FPR2ADRA2AADRA2BADRA2CADORA3
SCHEMBL5604017 0.76 TXN (0.36) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL9343522 0.76 ADRA2A (0.45) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL19642925 0.75 CYP1A2 (0.44) FPR2F2RL1ADRA2AADRA2BADRA2C

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
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed