SCHEMBL24031263

SCHEMBL24031263

CC(C)c1ncc(C(=O)N[C@H]2CC[C@H](N(C)c3ccc(C#N)c(Cl)c3)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.62
▸ HPGDS O60760 3/20 0.39
▸ PGR P06401 4/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 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
SCHEMBL26801774 0.90 AR (0.65) ARPGRCYP2C9CYP2D6S1PR3
SCHEMBL24031259 0.89 AR (0.63) ARHPGDSS1PR1S1PR3
SCHEMBL27027442 0.87 AR (0.58) ARPGRCYP2C9CYP2D6S1PR1
SCHEMBL24031267 0.87 AR (0.71) ARPGRCYP2C9CYP2D6KCNH2
SCHEMBL26801770 0.86 AR (0.66) ARCYP2C9S1PR3
SCHEMBL27027448 0.85 AR (0.58) ARPGRCYP2C9CYP2D6KCNH2
SCHEMBL27027440 0.85 AR (0.57) ARPGRCYP2C9CYP2D6KCNH2
SCHEMBL27027439 0.84 AR (0.56) ARPGRCYP2C9CYP2D6KCNH2
SCHEMBL26801765 0.83 AR (0.74) ARPGRCYP2C9CYP2D6S1PR1
SCHEMBL27295127 0.82 AR (0.73) ARPGRCYP2C9CYP2D6

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-2021231927-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-18 — — WO disclosed
Send feedback