SCHEMBL8570286

SCHEMBL8570286

CN1CCC(C2CCN(c3cc4c(Nc5cc(Br)c(N)c(Br)c5)ncnc4cn3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.59
ERBB2 P04626 6/20 0.41
KDR P35968 4/20 0.41
EPHA2 P29317 3/20 0.41
EPHB4 P54760 1/20 0.41
ERBB4 Q15303 1/20 0.39
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
RET P07949 1/20 0.38
BRAF P15056 1/20 0.38

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 0.69 CD38 (0.43) EGFRERBB2ERBB4
SCHEMBL6999466 0.69 EGFR (0.47) EGFRERBB2BRAF
SCHEMBL8566778 0.69 CD38 (0.43) EGFRERBB2ERBB4
SCHEMBL4559872 0.68 EGFR (0.80) EGFRERBB2
SCHEMBL4350714 0.67 GRM1 (0.62) EGFRERBB2KDREPHB4ERBB4
SCHEMBL7888586 0.67 EGFR (0.63) EGFRERBB2KDRERBB4BRAF
SCHEMBL8568476 0.67 EGFR (0.47) EGFRERBB2
SCHEMBL7888585 0.66 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL4461974 0.65 ERBB2 (0.71) EGFRERBB2BRAF
SCHEMBL30399944 0.64 EGFR (0.49) EGFRERBB2KDREPHA2EPHB4

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