SCHEMBL31442179

SCHEMBL31442179

O[C@@H]1CCN(c2cccc(I)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
NOTUM Q6P988 6/20 0.43
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
BPTF Q12830 1/20 0.40
ABL1 P00519 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL31441994 1.00 AR (0.48) ARNOTUMCDK1CDK2BPTF
SCHEMBL30967878 0.86 FAAH (0.43) ARNOTUMBPTF
SCHEMBL29237207 0.86 FAAH (0.43) ARNOTUMBPTF
SCHEMBL2334802 0.80 BPTF (0.61) ARNOTUMBPTF
SCHEMBL28996058 0.80 AR (0.48) ARNOTUMCDK1CDK2BPTF
SCHEMBL30252765 0.80 AR (0.48) ARNOTUMCDK1CDK2BPTF
SCHEMBL6467831 0.80 AR (0.48) ARNOTUMCDK1CDK2BPTF
SCHEMBL365887 0.80 AR (0.48) ARNOTUMCDK1CDK2BPTF
SCHEMBL5710409 0.80 BPTF (0.61) ARNOTUMBPTF
SCHEMBL27330017 0.80 NOTUM (0.64) ARNOTUM

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-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed