SCHEMBL24270145

SCHEMBL24270145

CC1(c2cc(N)cc(Br)c2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL22032824 0.77 TP53 (0.44) —
SCHEMBL13280688 0.77 — —
SCHEMBL15709700 0.77 — —
SCHEMBL22306040 0.71 BACE1 (0.47) CTSDBACE1
SCHEMBL19110540 0.69 TAAR1 (0.43) —
SCHEMBL9107623 0.69 ALDH1A1 (0.52) —
SCHEMBL17635526 0.68 — —
SCHEMBL22081739 0.68 CYP3A4 (0.48) —
SCHEMBL26068801 0.68 — —
SCHEMBL10154490 0.67 BACE1 (0.58) BACE1

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-2022068848-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2022-04-07 — — WO disclosed
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