SCHEMBL6949781

SCHEMBL6949781

[CH2]N1C(=O)C(c2cn(C)c3ccccc23)=C(c2cn(C)c3cc([N+](=O)[O-])ccc23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.52
CDK9 P50750 4/20 0.52
CDK2 P24941 2/20 0.47
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
MAPT P10636 1/20 0.46
CCNA2 P20248 1/20 0.45
PIM1 P11309 1/20 0.43

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
SCHEMBL6949785 0.91 CCNT1 (0.54) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6952834 0.85 CCNT1 (0.52) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7501550 0.85 CCNT1 (0.49) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6949919 0.85 CCNT1 (0.52) CCNT1CDK9CDK2CCNE2CDK4
Enmd-981693 SCHEMBL29350364 0.85 CCNE2 (0.69) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8476465 0.85 CCNE2 (0.48) CCNT1CDK9CDK2CCNE2CDK4
Enmd-981693 SCHEMBL608128 0.85 CCNE2 (0.69) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6440413 0.82 CCNE2 (0.58) CDK2CCNE2CDK4CCND1CCNE1
Phosphoric Acid SCHEMBL6951263 0.81 CCNT1 (0.47) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7500940 0.80 CCNT1 (0.46) CCNT1CDK9CDK2CCNA2

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
EP-1224181-B1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2003-12-03 EP claimed