SCHEMBL9058015

SCHEMBL9058015

[CH2]c1cccc(N(Cc2ccccc2)c2cnn(C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.43
FGFR2 P21802 7/20 0.43
FGFR4 P22455 7/20 0.43
FGFR3 P22607 7/20 0.43
KDR P35968 6/20 0.43
AR P10275 8/20 0.35
NR3C2 P08235 1/20 0.34
FLT3 P36888 1/20 0.33
HDAC1 Q13547 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
KCNA3 P22001 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9057600 0.78 TSHR (0.33) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL8811275 0.73 POLB (0.34) NR3C2TSHR
SCHEMBL9055863 0.70 TSHR (0.33) KCNA3TSHR
SCHEMBL5542387 0.70 TSHR (0.45) TSHR
SCHEMBL9056994 0.69 TSHR (0.34) NR3C2KCNA3TSHR
SCHEMBL9056947 0.68 SLC6A2 (0.42)
SCHEMBL28015765 0.67 TSHR (0.39) TSHR
SCHEMBL9057232 0.66 MAPT (0.36) KCNA3TSHR
SCHEMBL8013258 0.65 NR3C2 (0.51) ARNR3C2HDAC1KCNA3TSHR
Ethylene SCHEMBL11428459 0.65 NR3C2 (0.53) NR3C2HDAC1KCNA3TSHR

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed