SCHEMBL6248086

SCHEMBL6248086

CN1CCN(CCCn2nc(I)c3c(N)nccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YES1 P07947 1/20 0.39
▸ FGR P09769 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ KDM1A O60341 1/20 0.35
▸ CSNK2A2 P19784 2/20 0.35
▸ CSNK2B P67870 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.35
▸ CSNK2A3 Q8NEV1 2/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL5819603 0.87 MAPK13 (0.37) KDM1AGSK3BSIGMAR1USP2ALDH1A1
SCHEMBL4825100 0.79 SRC (0.56) YES1FGRSRCPIK3CDGSK3B
SCHEMBL2425869 0.76 AHCY (0.34) SRCPIK3CDGSK3B
SCHEMBL2429551 0.76 NOS2 (0.35) SRCPIK3CDNOS3NOS2GSK3B
SCHEMBL5818829 0.73 GAA (0.47) SRCPIK3CDGSK3B
SCHEMBL10830936 0.73 GSK3B (0.46) KDM1AGSK3BSIGMAR1DRD3
SCHEMBL5815909 0.72 LCK (0.46) SRCGSK3BFGFR1FGFR3
SCHEMBL18258356 0.71 SRC (0.64) YES1FGRSRCPIK3CDGSK3B
SCHEMBL21439802 0.71 RET (0.40) NOS3NOS2
SCHEMBL30566253 0.71 RET (0.40) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 — — EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 — — EP disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 — — WO disclosed
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