SCHEMBL7682155

SCHEMBL7682155

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccccc3Cl)n2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.40
CDK4 P11802 7/20 0.39
MAOA P21397 1/20 0.37
PDK1 Q15118 4/20 0.37
PDK2 Q15119 4/20 0.37
PDK3 Q15120 4/20 0.37
PDK4 Q16654 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
ABCB11 O95342 1/20 0.34
MAPT P10636 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 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
SCHEMBL7676510 0.89 CDK2 (0.47) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7682053 0.88 CDK2 (0.40) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7679500 0.86 CDK2 (0.43) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7677596 0.86 CDK2 (0.41) CDK2CDK4KMT2AMAPT
SCHEMBL7673991 0.85 CDK2 (0.40) CDK2CDK4MEN1KMT2AABCC9
SCHEMBL7673988 0.85 CHUK (0.43) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7676916 0.85 CDK2 (0.44) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7676621 0.84 CDK2 (0.43) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7682123 0.83 CDK2 (0.43) CDK2CDK4PDK1PDK2PDK3
SCHEMBL7676349 0.83 CDK2 (0.42) CDK2CDK4KMT2AABCC9ABCC8

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed