SCHEMBL7990894

SCHEMBL7990894

COc1ccc(-c2cncc(-c3cn(C(C)C4CCCNC4)c4c(OC)cccc34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
BLK P51451 1/20 0.42
KCNH2 Q12809 1/20 0.36
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HTR6 P50406 2/20 0.35
CHEK1 O14757 2/20 0.35
TGFBR1 P36897 2/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 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
SCHEMBL7977291 0.93 EGFR (0.38) EGFRLCKLYNBLKKCNH2
SCHEMBL7990969 0.92 EGFR (0.38) EGFRLCKLYNBLKKCNH2
SCHEMBL7987981 0.92 EGFR (0.38) EGFRLCKLYNBLKKCNH2
SCHEMBL7986667 0.89 CDK7 (0.44) EGFRLCKLYNBLKCDK7
SCHEMBL7976911 0.88 TNF (0.36) EGFRLCKLYNBLKKCNH2
SCHEMBL7994041 0.88 KDR (0.41) EGFRLCKLYNBLKKCNH2
SCHEMBL7987194 0.86 HTR6 (0.37) EGFRLCKLYNBLKCDK7
SCHEMBL7976151 0.83 CCNT1 (0.37) CDK7CCNHMNAT1CCNT1CCNE1
SCHEMBL7991016 0.83 CCNT1 (0.37) EGFRLCKLYNBLKCDK7
SCHEMBL7990448 0.83 CYP11B1 (0.40) CDK7CCNHMNAT1CCNT1CCNE1

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-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed