SCHEMBL6220441

SCHEMBL6220441

Cc1cc(C)c2oc(Nc3ccc(Br)cc3F)nc2c1.Cc1cc(C)c2oc(Nc3ccc(Br)cc3F)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
RET P07949 2/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
LYN P07948 1/20 0.55
FGFR1 P11362 1/20 0.55
SRC P12931 1/20 0.55
FLT1 P17948 1/20 0.55
RPS6KB1 P23443 1/20 0.55
EPHA2 P29317 1/20 0.55
AXL P30530 1/20 0.55
FLT4 P35916 1/20 0.55
FLT3 P36888 1/20 0.55
FRK P42685 1/20 0.55
BLK P51451 1/20 0.55

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
SCHEMBL3696752 1.00 KDR (0.55) KDRRETDYRK3ROCK2MAP4K4
SCHEMBL2635645 0.81 RAB9A (0.54) KDRRETROCK1EGFRTP53
SCHEMBL4823033 0.80 KDR (0.52) KDRRETDYRK3ROCK2MAP4K4
SCHEMBL1335513 0.78 KDR (0.49) KDRRETDYRK3ROCK2MAP4K4
SCHEMBL1748096 0.76 NPC1 (0.43) KDRRETEGFRTP53MAPT
SCHEMBL3817585 0.76 KCNH2 (0.38) KDRRETDYRK3ROCK2MAP4K4
SCHEMBL5803349 0.74 NPC1 (0.69) TP53MAPTNPC1RAB9AMEN1
SCHEMBL3817655 0.73 NPC1 (0.49) KDRRETEGFRTP53MAPT
SCHEMBL14268386 0.73 KDR (0.55) KDRRETDYRK3ROCK2MAP4K4
SCHEMBL1334184 0.72 KDR (0.62) KDRRETDYRK3ROCK2MAP4K4

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-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed