SCHEMBL13725415

SCHEMBL13725415

COCCc1ccnc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ ELOVL1 Q9BW60 2/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ OGA O60502 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ SMG1 Q96Q15 1/20 0.40

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
SCHEMBL13069962 0.84 PIK3CA (0.53) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL8197483 0.81 PIK3CA (0.59) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL21376960 0.81 PIK3CA (0.50) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL2459118 0.78 PIK3CA (0.54) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL5718308 0.78 PIK3CA (0.54) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL8358064 0.78 PIK3CA (0.54) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL3742630 0.78 PIK3CA (0.57) LRRK2PIK3CAABL1MTOR
SCHEMBL13028832 0.77 PIK3CA (0.50) LRRK2PIK3CAELOVL1CYP2C19OGA
SCHEMBL10154083 0.77 PIK3CA (0.50) LRRK2PIK3CACYP2C19OGAOPRM1
SCHEMBL8228263 0.77 LRRK2 (0.56) LRRK2PIK3CACYP2C19OGAOPRM1

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
EP-2705064-A1 ACCELERATED CURE COMPOSITION CONTAINING AN ISOCYANATE FUNCTIONAL PREPOLYMER Dow Global Technologies LLC (US) 2014-03-12 — — EP disclosed
WO-2012151085-A1 ACCELERATED CURE COMPOSITION CONTAINING AN ISOCYANATE FUNCTIONAL PREPOLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-08 — — WO disclosed
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