SCHEMBL31220751

SCHEMBL31220751

FC(F)(F)c1ccc2c(c1)c1ccc3cccc4ncn2c1c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.35
AURKB Q96GD4 2/20 0.35
AURKA O14965 1/20 0.35
MAT2A P31153 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KIF11 P52732 1/20 0.33
PKM P14618 1/20 0.33
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33
ESR1 P03372 1/20 0.33
HTR1D P28221 2/20 0.32
HTR2C P28335 2/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
MARK3 P27448 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 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
SCHEMBL31220708 0.69 KIF11 (0.32) KIF11ESR1PDE2APDE10A
SCHEMBL31220652 0.67 MEN1 (0.43) ALDH1A1HPGDKIF11EGFRKDM4E
SCHEMBL18012441 0.64 NQO2 (0.44) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL16441271 0.64 KIF11 (0.57) KIF11PKMKDM4ETP53
SCHEMBL24601532 0.63 KIF11 (0.40) ALDH1A1KIF11PKMKDM4ECYP1A2
SCHEMBL29602489 0.62 NQO2 (0.41) HPGDKDM4EHSD17B10
SCHEMBL18471324 0.62 NQO2 (0.41) HPGDKDM4EHSD17B10
SCHEMBL24601628 0.62 KIF11 (0.42) MAT2AKIF11PKMCYP1A2CYP3A4
SCHEMBL22178496 0.61 KIF11 (0.49) ALDH1A1KIF11PKMEGFR
SCHEMBL2646769 0.61 HTT (0.59) KDRAURKBAURKAALDH1A1HPGD

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
US-20240373735-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-11-07 US disclosed