SCHEMBL1016550

SCHEMBL1016550

O=C(O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)co1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.59
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
RAF1 P04049 1/20 0.53
LCK P06239 1/20 0.53
YES1 P07947 1/20 0.53
RET P07949 1/20 0.53
EPHA1 P21709 1/20 0.53
TEK Q02763 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL1069962 0.91 BRAF (0.55) BRAFABL1EGFRRAF1LCK
SCHEMBL4048143 0.89 BRAF (0.64) BRAFABL1EGFRRAF1LCK
SCHEMBL3496449 0.86 BRAF (0.78) BRAFABL1EGFRRAF1LCK
SCHEMBL1019289 0.86 BRAF (0.78) BRAFABL1EGFRRAF1LCK
SCHEMBL3497346 0.86 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL1012981 0.86 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL3496404 0.83 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL3498253 0.83 BRAF (0.53) BRAFABL1EGFRRAF1LCK
SCHEMBL1020083 0.81 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL3497331 0.80 BRAF (0.81) BRAFABL1EGFRRAF1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP claimed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO claimed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed