SCHEMBL7990984

SCHEMBL7990984

COc1cccc(-c2cncc(-c3cn(C(C)C4CCCNC4)c4cc(Cl)ccc34)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP2C19 P33261 2/20 0.35
CHEK1 O14757 2/20 0.35
HTR6 P50406 1/20 0.35
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
EED O75530 1/20 0.34
EGFR P00533 2/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACP1 P24666 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
SCHEMBL7994923 0.94 PRKCA (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7986848 0.92 CCNT1 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7991016 0.91 CCNT1 (0.37) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7976272 0.90 CCNT1 (0.41) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7548474 0.89 CDK7 (0.42) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7993914 0.89 HTR6 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7975970 0.88 HTR6 (0.39) CYP2C19CHEK1HTR6EEDEGFR
SCHEMBL7987644 0.87 CCNT1 (0.40) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7990422 0.86 ABL1 (0.38) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL7987981 0.85 EGFR (0.38) CYP2C19CHEK1EEDEGFRABL1

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