SCHEMBL25614234

SCHEMBL25614234

COC(=O)c1cncc(N2CCC(F)(F)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 2/20 0.45
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CRBN Q96SW2 4/20 0.39
DDB1 Q16531 2/20 0.39
DPP4 P27487 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL20897510 0.80 ALDH1A1 (0.55) CRBNDDB1NPC1RAB9AKMT2A
SCHEMBL3939071 0.78 ATM (0.53) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL31368772 0.78 CHRNB2 (0.45) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL30686532 0.78 CHRNB2 (0.45) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL475674 0.76 ALDH1A1 (0.43) NPC1RAB9AKMT2AALDH1A1
SCHEMBL664858 0.76 ATM (0.50) ATMCYP11B2CYP11B1NPC1RAB9A
SCHEMBL31705336 0.76 CHRNB2 (0.61) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL20604746 0.76 CHRNB2 (0.61) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL30686495 0.76 ATM (0.42) ATMCYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL14562451 0.75 ATM (0.53) ATMCYP11B2CYP11B1CHRNB2CHRNA4

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-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed