SCHEMBL7976151

SCHEMBL7976151

COc1ccc(-c2cncc(-c3cn(C(C)C4CCCNC4)c4ccc(Cl)cc34)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
ALPL P05186 1/20 0.35
TGFBR1 P36897 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR6 P50406 3/20 0.34
JAK2 O60674 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
SCHEMBL7990169 0.95 PDE4B (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7991016 0.93 CCNT1 (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7987194 0.93 HTR6 (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986838 0.93 CCNT1 (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7994923 0.91 PRKCA (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7987305 0.90 CCNT1 (0.42) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7993914 0.89 HTR6 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986667 0.89 CDK7 (0.44) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7990500 0.88 KDM1A (0.41) CCNT1CDK9ALPLTGFBR1CHRNB2
SCHEMBL7990448 0.88 CYP11B1 (0.40) 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