SCHEMBL31463690

SCHEMBL31463690

CC(C)=Cc1ccc(Br)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
FDFT1 P37268 1/20 0.33
CYP11B1 P15538 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31

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
SCHEMBL2289800 1.00 ABL1 (0.33) ABL1FDFT1CYP11B1CHRNB2CHRNA4
SCHEMBL17273936 0.81 AKR1C3 (0.53) FDFT1
SCHEMBL17050828 0.78 ALDH1A1 (0.33) FDFT1
SCHEMBL1120484 0.77 ADRA2A (0.38) ABL1
SCHEMBL6880003 0.76 FDFT1 (0.31) FDFT1CYP11B1
SCHEMBL12383796 0.76 TUBB4A (0.50)
SCHEMBL15067997 0.76
SCHEMBL30996071 0.75 NOS2 (0.45) ABL1
SCHEMBL6881208 0.75 FDFT1 (0.30) FDFT1
SCHEMBL6881217 0.75 FDFT1 (0.30) FDFT1

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-2025024707-A1 INHIBITORS OF CDK2/4/6 KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed