SCHEMBL19507765

SCHEMBL19507765

CC(=O)c1cccc(-c2n[nH]c3ncnc(Nc4cc(-c5ccccc5)cc(-c5cccc(-c6n[nH]c7ncnc(Nc8cccc(-c9ccccc9)c8)c67)c5)c4)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
JAK3 P52333 1/20 0.44
MELK Q14680 1/20 0.44
CSNK2A2 P19784 4/20 0.43
CSNK2B P67870 4/20 0.43
CSNK2A1 P68400 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 2/20 0.41
CDK1 P06493 2/20 0.41
PRKCA P17252 1/20 0.41
SYK P43405 1/20 0.41
BRAF P15056 2/20 0.41
TNNI3K Q59H18 2/20 0.41
RIPK1 Q13546 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 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
SCHEMBL19507770 0.97 EGFR (0.47) EGFRJAK3MELKCSNK2A2CSNK2B
SCHEMBL19507717 0.90 CDC7 (0.47) EGFRJAK3MELKCSNK2A2CSNK2B
SCHEMBL19507718 0.84 HDAC2 (0.43) EGFRJAK3MELKCSNK2A1ABL1
SCHEMBL19507714 0.84 HDAC2 (0.43) EGFRJAK3MELKCSNK2A2CSNK2B
SCHEMBL19507643 0.84 ERBB2 (0.53) EGFRABL1MAPTCDC7ROCK2
SCHEMBL19507769 0.83 EGFR (0.52) EGFRABL1CDK1PRKCABRAF
SCHEMBL19475730 0.82 PIK3CG (0.44) EGFRJAK3MEN1KMT2ABRAF
SCHEMBL19507784 0.79 FYN (0.42) JAK3BRAF
SCHEMBL19507935 0.79 FYN (0.48) EGFRABL1BRAFROCK2
SCHEMBL8124429 0.78 EGFR (0.53) EGFRJAK3MELKABL1CDK1

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
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 WO disclosed