SCHEMBL27612717

SCHEMBL27612717

Nc1nc(N)c(F)c(-c2cccc(N=CCO)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.37
▸ ADORA2A P29274 7/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PDXK O00764 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ PIP5K1C O60331 1/20 0.35
▸ STK16 O75716 1/20 0.35
▸ PIK3C2G O75747 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ OXSR1 O95747 1/20 0.35
▸ LATS1 O95835 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35

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
SCHEMBL27612558 0.78 SMN1; SMN2 (0.35) CSNK1DMAPT
SCHEMBL27631779 0.76 LHCGR (0.33) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL27612461 0.76 IKBKB (0.50) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL1116418 0.74 PIK3CG (0.60) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL27631687 0.73 ADORA2A (0.45) PIK3CGADORA2APIK3CDPIK3C2BPDXK
Hydrochloric Acid SCHEMBL27631852 0.72 ADORA2A (0.44) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL27612657 0.72 MAPT (0.39) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL4411196 0.71 RAB9A (0.56) PIK3CGADORA2AADORA1ADORA2BDPP4
SCHEMBL19932545 0.71 ADORA2A (0.43) PIK3CGADORA2APIK3CDPIK3C2BPDXK
SCHEMBL4419371 0.71 HRH2 (0.47) PIK3CGADORA2APIK3CDPIK3C2BPDXK

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-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 — — CN disclosed
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