SCHEMBL8567653

SCHEMBL8567653

OC1CCC(Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
ERBB2 P04626 14/20 0.61
ERBB4 Q15303 12/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GRM1 Q13255 1/20 0.60
JAK3 P52333 3/20 0.53
HPGD P15428 1/20 0.52
HTT P42858 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
SCHEMBL8567648 1.00 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8565858 0.92 EGFR (0.53) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8565853 0.92 EGFR (0.53) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8565496 0.87 EGFR (0.70) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8567268 0.86 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8567263 0.86 EGFR (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL8599966 0.82 EGFR (0.48) EGFRERBB2GRM1HPGDHTT
SCHEMBL8599962 0.82 EGFR (0.48) EGFRERBB2GRM1HPGDHTT
SCHEMBL8316770 0.82 EGFR (0.77) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL6997215 0.82 EGFR (0.77) 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