SCHEMBL21392081

SCHEMBL21392081

O=C(O)C(F)(F)c1ccnc(NSC2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.38
▸ SYK P43405 12/20 0.36
▸ HRH4 Q9H3N8 4/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ PKM P14618 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL21387693 0.77 SYK (0.43) SYKHRH4HRH3
SCHEMBL21381593 0.76 CTPS1 (0.51) —
SCHEMBL21387600 0.74 CTPS1 (0.31) TAS2R14SYK
SCHEMBL21387636 0.74 CTPS1 (0.39) —
SCHEMBL21387714 0.72 CTPS1 (0.41) SYK
SCHEMBL21387595 0.69 CTPS1 (0.32) SYK
SCHEMBL17420494 0.68 HSP90AA1 (0.38) TAS2R14HRH4
SCHEMBL23121276 0.68 ALOX15 (0.40) TAS2R14
SCHEMBL21392238 0.68 ALDH1A1 (0.32) —
SCHEMBL13369675 0.67 TAS2R14 (0.57) TAS2R14SYKPKM

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
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
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