SCHEMBL8254622

SCHEMBL8254622

Nc1ncnc2nc(-c3cccnc3C3CNCCO3)cc(-c3ccc4[nH]ccc4c3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ HCK P08631 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ EPHB4 P54760 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ PI4KB Q9UBF8 2/20 0.38
▸ ATR Q13535 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ NR2E3 Q9Y5X4 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL8265827 0.86 HPGD (0.52) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL2035227 0.86 ADK (0.41) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL2034210 0.85 ADK (0.48) KDM4EHPGDADKKMT2AMEN1
SCHEMBL8267956 0.84 HPGD (0.43) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL2035054 0.84 ADK (0.38) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL8254635 0.84 ADK (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL8215356 0.84 PI4KA (0.36) PI4KBKDM4EHPGDPPARGNR2E3
SCHEMBL2042387 0.82 GSK3B (0.41) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL8147918 0.81 KDM4E (0.35) KDM4EHPGDPPARGNR2E3NCOR2
SCHEMBL8214439 0.81 PRKD3 (0.40) KDM4EHPGDPPARGNR2E3NCOR2

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
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