SCHEMBL31389413

SCHEMBL31389413

CCOC(=O)c1cc2n(n1)CC(F)(F)CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL21315317 0.87 KMT2A (0.40) KMT2ACYP1A2MAPTGAATP53
SCHEMBL31389838 0.80 KMT2A (0.38) KMT2ACYP1A2MAPTGAATP53
SCHEMBL3549149 0.77 CYP1A2 (0.40) KMT2ACYP1A2MAPTGAAADORA3
SCHEMBL2929174 0.77 NPC1 (0.41) KMT2ACYP1A2GAAKDM4E
SCHEMBL19284286 0.76 KMT2A (0.38) KMT2ACYP1A2MAPTGAATP53
SCHEMBL2928372 0.76 NPC1 (0.43) KMT2ACYP1A2KDM4E
SCHEMBL26726779 0.75 KDM4E (0.42) KMT2ACYP1A2GAAADORA3KDM4E
SCHEMBL6379433 0.75 NPC1 (0.44) KMT2AGAAKDM4E
SCHEMBL30836782 0.74 KMT2A (0.40) KMT2ACYP1A2MAPTGAATP53
SCHEMBL3542014 0.74 CYP1A2 (0.39) KMT2ACYP1A2MAPTGAAADORA3

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed