SCHEMBL8567263

SCHEMBL8567263

COC(=O)[C@H]1CC[C@H](Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
ERBB2 P04626 13/20 0.61
ERBB4 Q15303 11/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
JAK3 P52333 2/20 0.53
GRM1 Q13255 1/20 0.53
AURKA O14965 1/20 0.52
INSR P06213 1/20 0.52
FBP1 P09467 1/20 0.52
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
CLK1 P49759 1/20 0.52
EPHB4 P54760 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL8567268 1.00 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8568027 0.93 EGFR (0.54) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8568035 0.93 EGFR (0.54) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8567648 0.86 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8567653 0.86 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8318242 0.84 KCNH2 (0.51) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8318239 0.84 KCNH2 (0.51) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7584450 0.84 ERBB2 (0.59) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL6999332 0.84 EGFR (0.71) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL6999338 0.84 EGFR (0.71) EGFRERBB2ERBB4MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885226-A1 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032881-A1 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed