SCHEMBL7987644

SCHEMBL7987644

CC(C1CCCNC1)n1cc(-c2cncc(-c3ccc(Cl)cc3)c2)c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.40
CDK9 P50750 5/20 0.40
CDK7 P50613 4/20 0.40
CCNH P51946 4/20 0.40
MNAT1 P51948 4/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 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
CHRNA4 P43681 1/20 0.32
CHEK1 O14757 5/20 0.32
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
MAPKAPK2 P49137 2/20 0.31
NFATC1 O95644 1/20 0.31

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
SCHEMBL7548474 0.94 CDK7 (0.42) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7991016 0.93 CCNT1 (0.37) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7986838 0.93 CCNT1 (0.40) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7986848 0.92 CCNT1 (0.38) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7986901 0.89 KDR (0.41) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7990984 0.87 CCNT1 (0.36) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7987305 0.87 CCNT1 (0.42) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7990169 0.86 PDE4B (0.37) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7976151 0.86 CCNT1 (0.37) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL7994416 0.86 CCNT1 (0.37) CCNT1CDK9CDK7CCNHMNAT1

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