SCHEMBL7976911

SCHEMBL7976911

COc1cccc2c(-c3cncc(-c4cccc(Cl)c4)c3)cn(C(C)C3CCCNC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.36
LITAF Q99732 4/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
BLK P51451 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP2D6 P10635 2/20 0.35
ACP1 P24666 1/20 0.34
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL7990969 0.93 EGFR (0.38) TNFLITAFEGFRLCKLYN
SCHEMBL7977291 0.92 EGFR (0.38) EGFRLCKLYNBLKCCNT1
SCHEMBL7987981 0.91 EGFR (0.38) EGFRLCKLYNBLKKCNH2
SCHEMBL7990894 0.88 EGFR (0.42) EGFRLCKLYNBLKCCNT1
SCHEMBL7991127 0.87 CDK7 (0.46) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7994041 0.86 KDR (0.41) EGFRLCKLYNBLKCCNT1
SCHEMBL7993914 0.86 HTR6 (0.38) EGFRLCKLYNBLKCCNT1
SCHEMBL7503926 0.85 CCNT1 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986848 0.85 CCNT1 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7990984 0.83 CCNT1 (0.36) EGFRLCKLYNBLKCCNT1

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