SCHEMBL4415797

SCHEMBL4415797

COc1cc(Nc2nc3ncnc-3c(N)[nH]2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
LCK P06239 5/20 0.45
BRAF P15056 1/20 0.43
EGFR P00533 4/20 0.42
GAK O14976 1/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IGF1R P08069 2/20 0.42
EPHB4 P54760 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
BRD4 O60885 1/20 0.41
AURKA O14965 1/20 0.41
DHFR P00374 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
TEK Q02763 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL4417430 0.85 BRAF (0.41) LCKBRAFEGFRMEN1KMT2A
SCHEMBL4412618 0.78 EGFR (0.49) KDRAURKBEGFRSRCMEN1
SCHEMBL4416584 0.78 MEN1 (0.41) EGFRMEN1KMT2A
SCHEMBL4411784 0.78 MAPT (0.52) EGFRKMT2ADHFR
SCHEMBL14044911 0.77 ADORA3 (0.47) KDRAURKBLCKBRAFEGFR
SCHEMBL4414428 0.73 EGFR (0.47) EGFRADORA2A
SCHEMBL4417948 0.72 GAA (0.43) KDRLCKSRCMEN1KMT2A
SCHEMBL4417806 0.71 SYK (0.43) EGFRMEN1KMT2A
SCHEMBL4427810 0.71 EGFR (0.45) BRAFEGFRMEN1KMT2A
SCHEMBL4412315 0.71 ABCG2 (0.44) EGFRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed