SCHEMBL24921189

SCHEMBL24921189

COc1cncc(-n2cc(F)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
RIPK2 O43353 4/20 0.45
CHRNB2 P17787 7/20 0.43
CHRNA4 P43681 7/20 0.43
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL19984470 0.82 RIPK2 (0.46) CYP11B1CYP11B2RIPK2CHRNB2CHRNA4
SCHEMBL24921580 0.81 MAPKAPK2 (0.50)
SCHEMBL19947421 0.81 KDM4E (0.44) CYP11B1CYP11B2RIPK2CHRNB2CHRNA4
SCHEMBL24921152 0.81 NOTUM (0.50) GRIN1GRIN2B
SCHEMBL31014572 0.77 RAB9A (0.46) CYP11B1CYP11B2RIPK2CHRNB2CHRNA4
Bromide SCHEMBL31015249 0.76 NPC1 (0.43) CYP11B1CYP11B2RIPK2CHRNB2CHRNA4
SCHEMBL31015304 0.76 CYP11B1 (0.43) CYP11B1CYP11B2RIPK2CHRNB2CHRNA4
SCHEMBL31015139 0.76 RIPK2 (0.49) CYP11B1CYP11B2RIPK2
SCHEMBL31015116 0.75 RIPK2 (0.51) CYP11B1CYP11B2RIPK2
SCHEMBL30557250 0.75 RIPK2 (0.39) CYP11B2RIPK2CHRNB2CHRNA4

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