Sugi Predict

Sugi Predict / Compounds / SCHEMBL21397986

SCHEMBL21397986

SCHEMBL21397986

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccncc6n5-c5ccccc5)c43)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DYRK1A Q13627 1/20 0.34
▸ CDK4 P11802 3/20 0.33
▸ CDK6 Q00534 3/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21397980 0.92 ATM (0.40) KDM4EATML3MBTL1MEN1HSP90AA1
SCHEMBL2754629 0.91 KDM4E (0.40) KDM4EATML3MBTL1MEN1HSP90AA1
SCHEMBL2754624 0.91 L3MBTL1 (0.47) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL30019599 0.91 L3MBTL1 (0.47) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21397973 0.90 KDM4E (0.41) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL21398001 0.90 KDM4E (0.41) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL24993933 0.90 L3MBTL1 (0.46) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL16452023 0.90 KDM4E (0.33) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL18958266 0.89 KDM4E (0.38) KDM4EATML3MBTL1DYRK1ACDK4
SCHEMBL21365848 0.89 L3MBTL1 (0.45) KDM4EATML3MBTL1MEN1MAPT

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-2019179497-A1 ORGANIC COMPOUND WITH PYRIDINE AS CORE AND USE THEREOF 江苏三月光电科技有限公司 2019-09-26 — — WO disclosed