SCHEMBL18044065

SCHEMBL18044065

C[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)C1CNC(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 1.00
▸ FLT3 P36888 5/20 0.77
▸ AURKB Q96GD4 4/20 0.77

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
SCHEMBL14666605 1.00 SYK (1.00) SYKFLT3AURKB
SCHEMBL16311120 0.94 SYK (0.89) SYKFLT3AURKB
SCHEMBL14666556 0.89 SYK (1.00) SYKFLT3AURKB
SCHEMBL18044072 0.89 SYK (1.00) SYKFLT3AURKB
SCHEMBL14666638 0.87 SYK (1.00) SYKFLT3AURKB
SCHEMBL14666628 0.85 SYK (1.00) SYKFLT3AURKB
SCHEMBL18044056 0.85 SYK (1.00) SYKFLT3AURKB
SCHEMBL14666639 0.84 SYK (1.00) SYKFLT3AURKB
SCHEMBL18044030 0.84 SYK (1.00) SYKFLT3AURKB
SCHEMBL14659538 0.83 SYK (1.00) SYKFLT3AURKB

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-2736886-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-09-14 — — EP disclosed
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