SCHEMBL13891736

SCHEMBL13891736

Cc1nc(N2CCOCC2)nc(C)c1C(=O)N(CCCO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.43
▸ BRAF P15056 8/20 0.43
▸ TACR1 P25103 8/20 0.42
▸ CETP P11597 2/20 0.39

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
SCHEMBL14514048 0.69 TACR1 (0.44) TACR1
SCHEMBL7522146 0.69 TACR1 (0.60) TACR1
SCHEMBL4262145 0.68 TACR1 (0.48) RAF1BRAFTACR1
SCHEMBL5781484 0.67 TACR1 (0.68) RAF1BRAFTACR1
SCHEMBL5528489 0.66 GPBAR1 (0.42) TACR1
SCHEMBL6988382 0.66 TACR1 (0.48) TACR1
SCHEMBL6992641 0.65 TACR1 (0.45) TACR1
SCHEMBL6990714 0.64 TACR1 (0.57) TACR1
SCHEMBL6988418 0.63 GPBAR1 (0.47) TACR1
SCHEMBL6993514 0.62 TACR1 (0.62) TACR1

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-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 — — EP disclosed
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