SCHEMBL3158751

SCHEMBL3158751

COc1ccc(-c2coc3ncnc(OC[C@H](C)C[O])c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
EGFR P00533 5/20 0.41
PDGFRB P09619 5/20 0.41
TEK Q02763 2/20 0.40
FLT1 P17948 2/20 0.40
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39
TUBB2B Q9BVA1 4/20 0.39
TUBB1 Q9H4B7 4/20 0.39

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
SCHEMBL2177474 0.82 KDR (0.47) KDREGFRPDGFRBTEKFLT1
SCHEMBL12409621 0.82 KDR (0.47) KDREGFRPDGFRBTEKFLT1
SCHEMBL2179721 0.78 KDR (0.47) KDREGFRPDGFRBTEKFLT1
SCHEMBL2179734 0.77 KDR (0.46) KDREGFRPDGFRBTEKFLT1
SCHEMBL2179726 0.76 KDR (0.45) KDREGFRPDGFRBTEKFLT1
SCHEMBL2180594 0.74 KDR (0.49) KDREGFRPDGFRBTEKFLT1
Gw642125X SCHEMBL14013971 0.73 KDR (1.00) KDREGFRTEKFLT1CDK1
SCHEMBL2179253 0.73 KDR (0.71) KDREGFRPDGFRBTEKFLT1
SCHEMBL2179261 0.71 KDR (0.46) KDREGFRPDGFRBTEKFLT1
SCHEMBL2179258 0.70 KDR (0.45) KDREGFRPDGFRBTEKFLT1

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-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed