SCHEMBL1016417

SCHEMBL1016417

Fc1cc(N2C[C@@H]3CC[C@H]2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.81
ABL1 P00519 1/20 0.65
EGFR P00533 1/20 0.65
RAF1 P04049 1/20 0.65
LCK P06239 1/20 0.65
YES1 P07947 1/20 0.65
RET P07949 1/20 0.65
EPHA1 P21709 1/20 0.65
TEK Q02763 1/20 0.65
MAPK14 Q16539 1/20 0.65

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
SCHEMBL1015905 0.94 BRAF (0.79) BRAFABL1EGFRRAF1LCK
SCHEMBL1015694 0.90 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL3495782 0.90 BRAF (1.00) BRAFABL1EGFRRAF1LCK
SCHEMBL13499897 0.87 BRAF (0.74) BRAFABL1EGFRRAF1LCK
SCHEMBL1014031 0.86 BRAF (0.78) BRAFABL1EGFRRAF1LCK
SCHEMBL1013970 0.86 BRAF (1.00) BRAFABL1EGFRRAF1LCK
SCHEMBL1016687 0.86 BRAF (0.80) BRAFABL1EGFRRAF1LCK
SCHEMBL1013595 0.85 BRAF (0.68) BRAFABL1EGFRRAF1LCK
Hydrochloric Acid SCHEMBL1019058 0.85 BRAF (0.79) BRAFABL1EGFRRAF1LCK
SCHEMBL3497530 0.85 BRAF (0.68) 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 4 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
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 disclosed
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