SCHEMBL4417430

SCHEMBL4417430

COc1cc(Nc2nc3ncnc-3c(N)[nH]2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
EGFR P00533 3/20 0.38
LCK P06239 1/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DHFR P00374 1/20 0.36
TYMS P04818 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
CLK1 P49759 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL4412618 0.88 EGFR (0.49) EGFRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4415797 0.85 KDR (0.46) BRAFEGFRLCKDHFRMEN1
SCHEMBL4417806 0.78 SYK (0.43) EGFRSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL4414478 0.77 PLAU (0.39) EGFRMEN1KMT2AMAPTSYK
SCHEMBL4411784 0.77 MAPT (0.52) EGFRMAPK1SMN1; SMN2DHFRKMT2A
SCHEMBL4414428 0.75 EGFR (0.47) EGFRMAPK1SMN1; SMN2
SCHEMBL4417948 0.73 GAA (0.43) LCKMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4427810 0.73 EGFR (0.45) BRAFEGFRHDAC6MEN1KMT2A
SCHEMBL4414311 0.73 EGFR (0.53) EGFRMEN1KMT2AMAPTSYK
SCHEMBL4412315 0.73 ABCG2 (0.44) EGFRSMN1; SMN2MEN1KMT2AMAPT

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