SCHEMBL8368178

SCHEMBL8368178

CCCC(F)OC(=O)[C@H]1CCCN1Cc1ccc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.53
EGFR P00533 16/20 0.53
ERBB4 Q15303 14/20 0.53
JAK3 P52333 11/20 0.50
MEN1 O00255 1/20 0.48
RGS12 O14924 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAF1 P04049 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48

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
SCHEMBL8516814 0.95 ERBB2 (0.53) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8516399 0.91 ERBB2 (0.54) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8364675 0.86 ERBB2 (0.57) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL4537001 0.82 ERBB2 (0.55) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8361625 0.81 ERBB2 (0.59) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8367096 0.76 ERBB2 (0.62) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6764101 0.76 ERBB2 (0.55) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6764097 0.76 ERBB2 (0.55) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6765999 0.72 ERBB2 (0.62) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6766003 0.72 ERBB2 (0.62) ERBB2EGFRERBB4JAK3MEN1

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-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed