SCHEMBL5819979

SCHEMBL5819979

CN1CCN(C2CCC(n3nc(-c4ccc(Nc5nc6ccccc6o5)c(F)c4)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.68
ERBB2 P04626 14/20 0.68
IGF1R P08069 14/20 0.68
ERBB3 P21860 14/20 0.68
ERBB4 Q15303 14/20 0.68
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
LCK P06239 5/20 0.47
SRC P12931 5/20 0.47
TEK Q02763 5/20 0.47
KDR P35968 1/20 0.45

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
SCHEMBL5801987 0.89 EGFR (0.84) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6430378 0.89 EGFR (0.84) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL4826480 0.89 EGFR (0.84) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6273557 0.88 EGFR (0.61) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL7050377 0.86 EGFR (0.85) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL7050383 0.86 EGFR (0.85) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6867289 0.79 EGFR (0.75) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6867295 0.79 EGFR (0.75) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6670094 0.77 LCK (0.55) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6430512 0.77 EGFR (1.00) EGFRERBB2IGF1RERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed