SCHEMBL21923074

SCHEMBL21923074

CCNCCNc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 8/20 0.39
▸ LIPG Q9Y5X9 8/20 0.39
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ CXCR2 P25025 1/20 0.31

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
SCHEMBL15307251 0.81 LPL (0.39) LPLLIPGCA12CA1CA2
SCHEMBL15587367 0.76 MAP4K4 (0.39) LPLLIPG
SCHEMBL9948194 0.75 LPL (0.57) LPLLIPGCA12CA1CA2
SCHEMBL21239904 0.74 LPL (0.42) LPLLIPGCA12CA1CA2
SCHEMBL21630389 0.72 CA1 (0.41) LPLLIPGCA12CA1CA2
SCHEMBL4160805 0.71 CA1 (0.46) LPLLIPGCA12CA1CA2
SCHEMBL16655918 0.71 LPL (0.41) LPLLIPGCA12CA1CA2
SCHEMBL31716916 0.71 LIPG (0.46) LPLLIPGCXCR2
SCHEMBL14748338 0.69 LPL (0.50) LPLLIPGCA12CA1CA2
SCHEMBL17331609 0.69 CA1 (0.43) LPLLIPGCA12CA1CA2

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
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 — — EP disclosed
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