SCHEMBL24920534

SCHEMBL24920534

COCc1ccnc(N2CCC3(CCN(C)C3)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.45
CYP2D6 P10635 10/20 0.45
TSHR P16473 3/20 0.42
ALDH1A1 P00352 10/20 0.40
CYP3A4 P08684 9/20 0.40
CYP1A2 P05177 6/20 0.40
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CRBN Q96SW2 1/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL24920516 0.94 HSD17B10 (0.41) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL24920538 0.85 DYRK1A (0.44) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL30212567 0.85 HSD17B10 (0.43) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL24920533 0.83 HSD17B10 (0.57) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL24920525 0.82 DYRK1A (0.52) HSD17B10CYP2D6TSHRCYP3A4CRBN
SCHEMBL24920530 0.82 ALDH1A1 (0.51) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL24920567 0.81 DYRK1A (0.38) HSD17B10CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL24920548 0.79 ACHE (0.48) HSD17B10ALDH1A1CYP1A2USP2
SCHEMBL24921023 0.76 AOC3 (0.44)
SCHEMBL24921040 0.76 AOC3 (0.44)

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed