SCHEMBL8566778

SCHEMBL8566778

Nc1c(Br)cc(Nc2ncnc3cnc(N[C@H]4CC[C@H](O)CC4)cc23)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.43
EGFR P00533 11/20 0.43
ERBB2 P04626 4/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TNK2 Q07912 1/20 0.42
JAK3 P52333 1/20 0.41
ERBB4 Q15303 1/20 0.40

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
SCHEMBL8566783 1.00 CD38 (0.43) CD38EGFRERBB2IRAK4MKNK1
SCHEMBL6988137 0.80 BRAF (0.53) CD38EGFRERBB2
SCHEMBL7001817 0.80 BRAF (0.53) CD38EGFRERBB2
SCHEMBL8567653 0.77 EGFR (0.61) EGFRERBB2MEN1KMT2AJAK3
SCHEMBL8567648 0.77 EGFR (0.61) EGFRERBB2MEN1KMT2AJAK3
SCHEMBL6999541 0.75 EGFR (0.52) EGFRERBB2
SCHEMBL6999546 0.75 EGFR (0.52) EGFRERBB2
SCHEMBL8568476 0.72 EGFR (0.47) EGFRERBB2MKNK1MEN1KMT2A
SCHEMBL8314236 0.72 BRAF (0.54) CD38EGFRERBB2MKNK1JAK3
SCHEMBL8314239 0.72 BRAF (0.54) CD38EGFRERBB2MKNK1JAK3

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