SCHEMBL7991016

SCHEMBL7991016

COc1ccc(-c2cncc(-c3cn(C(C)C4CCCNC4)c4cc(Cl)ccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
TGFBR1 P36897 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB3 Q05901 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
BLK P51451 1/20 0.34
ALPL P05186 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
SCHEMBL7976151 0.93 CCNT1 (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7987644 0.93 CCNT1 (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7990984 0.91 CCNT1 (0.36) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7990169 0.90 PDE4B (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7548474 0.90 CDK7 (0.42) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986667 0.89 CDK7 (0.44) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7987194 0.88 HTR6 (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986848 0.87 CCNT1 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986838 0.86 CCNT1 (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986901 0.85 KDR (0.41) CCNT1CCNE1CDK2CDK7CDK9

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