SCHEMBL24920899

SCHEMBL24920899

COc1cnnc(-n2cc(F)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.36
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
EGLN1 Q9GZT9 3/20 0.32
ALKBH1 Q13686 1/20 0.32
GRM5 P41594 2/20 0.32
NTRK1 P04629 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL24921233 0.78 CCR1 (0.44) EGLN1GRM5MAPT
SCHEMBL24920821 0.73 KDM4E (0.43) TDO2MAPT
SCHEMBL24921150 0.73 TDO2 (0.34) TDO2CYP11B1CYP11B2NTRK1
SCHEMBL24921189 0.73 CYP11B1 (0.52) CYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL24921531 0.73 EGLN1 (0.50) TDO2EGLN1ALKBH1GRM5RXRA
SCHEMBL24921563 0.72 TDO2 (0.36) TDO2CYP11B1CYP11B2ALKBH1NTRK1
SCHEMBL24920403 0.71 HCRTR1 (0.32)
SCHEMBL24921536 0.71 MAPT (0.36) TDO2EGLN1GRM5NTRK1MAPT
SCHEMBL24921503 0.70 ALKBH1 (0.47) TDO2ALKBH1RXRAGRIN1GRIN2B
SCHEMBL24921580 0.70 MAPKAPK2 (0.50) MAPT

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