SCHEMBL31389453

SCHEMBL31389453

OC1CC(n2c(C(F)(F)F)cc3cccnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ATM Q13315 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.34
PDK2 Q15119 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
PDE4B Q07343 6/20 0.32

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
SCHEMBL31389907 0.78 ATM (0.38) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL31389485 0.76 POLB (0.58) ALDH1A1MAPTPOLBPDE4BPDE4D
SCHEMBL31389617 0.75 TBXAS1 (0.42) ELANEPDE4BPDE4D
SCHEMBL31389550 0.70 POLB (0.37) KMT2AMAPTPOLBLRRK2
SCHEMBL30509491 0.70 KDM4E (0.46) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL3635584 0.70 KDM4E (0.40) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL31389636 0.68 POLB (0.36) MAPTPOLBLRRK2
SCHEMBL31389620 0.67 KDM4E (0.47) KDM4ERETKDRPDE4BPDE4D
SCHEMBL1772375 0.65 KDM4E (0.40) KDM4EATMCYP1A2CYP3A4CYP2D6
SCHEMBL31389987 0.64 LRRK2 (0.43) MEN1KMT2AALDH1A1TDP1MAPT

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