SCHEMBL23501611

SCHEMBL23501611

COC(=O)c1cncc(OC2CC(F)(F)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
HIF1A Q16665 1/20 0.40
CYP2A6 P11509 1/20 0.39
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
P2RX3 P56373 2/20 0.37
CACNA1H O95180 4/20 0.37
EPHX2 P34913 2/20 0.36
CSNK1E P49674 1/20 0.36
HDAC4 P56524 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
SCHEMBL31364788 1.00 ATM (0.48) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL23501701 0.89 ATM (0.39) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL31359370 0.87 ATM (0.46) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL23501627 0.87 ATM (0.46) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL23501647 0.85 HCAR2 (0.44) ALDH1A1ABHD6
SCHEMBL29933977 0.85 HCAR2 (0.44) ALDH1A1ABHD6
SCHEMBL25624678 0.82 ATM (0.51) ATMCYP11B1CYP11B2CYP2A6GRM5
SCHEMBL31364792 0.81 ATM (0.44) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL23501656 0.81 ATM (0.44) ATMCYP11B1CYP11B2HIF1ACYP2A6
SCHEMBL17572997 0.78 DYRK1A (0.48) ATMEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO disclosed