SCHEMBL28566835

SCHEMBL28566835

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
PIN1 Q13526 1/20 0.34
F2RL1 P55085 8/20 0.33
TLR8 Q9NR97 5/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
FPR2 P25090 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
SCHEMBL28577410 0.96 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL28569793 0.94 CDK1 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL973379 0.94 CDK1 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL28569899 0.93 FPR2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL5367788 0.86 TXN (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19642925 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL14880753 0.79 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6901700 0.79 FPR2 (0.32) FPR2
SCHEMBL7908696 0.78 CYP19A1 (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL28363270 0.78 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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