SCHEMBL4848542

SCHEMBL4848542

COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1-c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.39
▸ PGK1 P00558 1/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ FGFR3 P22607 5/20 0.36
▸ FGFR1 P11362 4/20 0.36
▸ FGFR2 P21802 4/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ TTK P33981 3/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ KDR P35968 2/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ TPX2 Q9ULW0 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ ACVR2A P27037 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL17336011 0.81 HSP90AA1 (0.50) PGK1
SCHEMBL4731523 0.79 HSP90AA1 (0.40) —
SCHEMBL17349447 0.78 HSP90AA1 (0.39) —
SCHEMBL15651953 0.75 LRRK2 (0.47) LRRK2PGK1FGFR3FGFR1FGFR2
SCHEMBL15021140 0.74 LRRK2 (0.56) LRRK2PGK1FGFR3FGFR1FGFR2
SCHEMBL4735575 0.72 GAA (0.39) —
SCHEMBL14207911 0.68 ADORA2A (0.34) —
SCHEMBL14209035 0.68 HSP90AB1 (0.49) —
SCHEMBL4735379 0.67 HSP90AB1 (0.51) —
SCHEMBL4732878 0.66 HSP90AA1 (0.41) —

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
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
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