SCHEMBL28440871

SCHEMBL28440871

CC(=O)c1ccc(NC(=O)C2CCN(c3nc(Nc4ccc(C5CNCCO5)cc4)ncc3C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL28443651 0.89 JAK2 (0.56) TAAR1
SCHEMBL28896922 0.87 TAAR1 (0.44) TAAR1
SCHEMBL28451616 0.86 — —
SCHEMBL28445170 0.85 TAAR1 (0.47) TAAR1
SCHEMBL28435369 0.84 — —
SCHEMBL24426200 0.82 JAK2 (0.62) —
SCHEMBL28441102 0.81 — —
SCHEMBL28435360 0.80 JAK2 (0.56) —
SCHEMBL28442721 0.79 FGFR4 (0.58) TAAR1
SCHEMBL28443296 0.79 JAK2 (0.54) TAAR1

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
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN disclosed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN disclosed
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