SCHEMBL7986838

SCHEMBL7986838

CC(C1CCCNC1)n1cc(-c2cncc(-c3ccc(Cl)cc3)c2)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CHRNB2 P17787 2/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CHRNA4 P43681 1/20 0.32
HTR6 P50406 2/20 0.32
KDM1A O60341 1/20 0.32
CHEK1 O14757 5/20 0.32

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
SCHEMBL7987305 0.94 CCNT1 (0.42) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7976151 0.93 CCNT1 (0.37) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7987644 0.93 CCNT1 (0.40) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7503926 0.92 CCNT1 (0.38) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7990169 0.91 PDE4B (0.37) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7994416 0.91 CCNT1 (0.37) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7548212 0.89 KDR (0.39) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7994923 0.87 PRKCA (0.40) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7548474 0.87 CDK7 (0.42) CCNT1CCNE1CDK2CDK9CDK7
SCHEMBL7991016 0.86 CCNT1 (0.37) CCNT1CCNE1CDK2CDK9CDK7

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