SCHEMBL24920522

SCHEMBL24920522

COCc1ccnc(N2CCC3(CCNC3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.48
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 1/20 0.41
ROCK1 Q13464 3/20 0.41
CDC42BPB Q9Y5S2 3/20 0.41
ROCK2 O75116 2/20 0.41
CYP11B1 P15538 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 3/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24920530 0.93 ALDH1A1 (0.51) CCR4CYP3A4CYP2D6TSHRALDH1A1
SCHEMBL24920523 0.82 ADRB1 (0.51) ALDH1A1HSD17B10CYP1A2ROCK1ROCK2
SCHEMBL24920516 0.78 HSD17B10 (0.41) CYP3A4CYP2D6TSHRALDH1A1HSD17B10
SCHEMBL24921023 0.78 AOC3 (0.44) KMT2AAOC3
SCHEMBL24921040 0.78 AOC3 (0.44) MEN1KMT2AAOC3
SCHEMBL24920534 0.77 HSD17B10 (0.45) CYP3A4CYP2D6TSHRALDH1A1HSD17B10
SCHEMBL24920538 0.77 DYRK1A (0.44) CYP3A4CYP2D6TSHRALDH1A1HSD17B10
SCHEMBL24920535 0.77 SLC6A2 (0.40) ALDH1A1HPGDMEN1KMT2AAOC3
SCHEMBL24920520 0.76 MAPT (0.46) HPGDMEN1KMT2AAOC3
SCHEMBL24920548 0.75 ACHE (0.48) ALDH1A1HSD17B10CYP1A2HRH3USP2

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