SCHEMBL31582836

SCHEMBL31582836

CC(C)n1nc(F)c2cccc(C(Br)C(=O)OC(C)(C)C)c21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.34
▸ AAK1 Q2M2I8 1/20 0.30
▸ EDNRA P25101 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL31582842 0.87 KDM4E (0.36) ESR1EDNRAPOLB
SCHEMBL31582995 0.76 MTNR1A (0.36) ESR1POLB
SCHEMBL31582981 0.76 LMNA (0.36) AAK1
SCHEMBL31582650 0.75 SLC16A3 (0.34) —
SCHEMBL31582655 0.75 LMNA (0.33) —
SCHEMBL31583219 0.74 LMNA (0.35) POLB
SCHEMBL31583107 0.74 SMN1; SMN2 (0.31) —
SCHEMBL31582472 0.71 JAK2 (0.34) EDNRA
SCHEMBL31583384 0.69 ESR1 (0.38) ESR1POLB
SCHEMBL31582797 0.68 CYP2A6 (0.33) AAK1EDNRA

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
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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