SCHEMBL30337602

SCHEMBL30337602

Nc1cncc(-c2ccc(-c3cncc(N)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
DYRK1B Q9Y463 2/20 0.50
DYRK1A Q13627 1/20 0.44
NTRK1 P04629 2/20 0.44
MKNK1 Q9BUB5 5/20 0.43
MKNK2 Q9HBH9 5/20 0.43
MEN1 O00255 3/20 0.43
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABL1 P00519 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
DDO Q99489 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL27898901 0.89 CYP11B2 (0.56) CYP11B1CYP11B2DYRK1BDYRK1ANTRK1
SCHEMBL4152091 0.88 NTRK1 (0.55) CYP11B1CYP11B2DYRK1BDYRK1ANTRK1
SCHEMBL558114 0.88 DYRK1B (0.54) CYP11B1CYP11B2DYRK1BDYRK1AMKNK1
SCHEMBL21469807 0.84 NTRK1 (0.53) CYP11B1CYP11B2DYRK1BDYRK1ANTRK1
SCHEMBL11154615 0.84 CYP3A4 (0.58) CYP11B1CYP11B2MKNK1MKNK2MEN1
SCHEMBL382109 0.84 CYP11B2 (0.59) CYP11B1CYP11B2MAP4K4IRAK4
SCHEMBL25754718 0.84 KIF11 (0.53) CYP11B1CYP11B2DYRK1BMKNK1MKNK2
SCHEMBL15211877 0.84 MAP4K4 (0.59) CYP11B1CYP11B2DYRK1AMKNK1MKNK2
SCHEMBL18745784 0.82 DYRK1B (0.44) CYP11B1CYP11B2DYRK1BDYRK1ANTRK1
SCHEMBL31403028 0.81 CYP11B2 (0.66) CYP11B1CYP11B2DYRK1BDYRK1AMKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974067-A High-thermal-conductivity graphite film of pyridine ring modified polyimide and preparation method thereof 富优特(山东)新材料科技有限公司 2023-04-18 CN claimed
CN-115974067-A High-thermal-conductivity graphite film of pyridine ring modified polyimide and preparation method thereof 富优特(山东)新材料科技有限公司 2023-04-18 CN disclosed