SCHEMBL7676916

SCHEMBL7676916

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cc(F)c(F)cc3F)n2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.44
CDK4 P11802 5/20 0.42
ABCC9 O60706 3/20 0.39
ABCC8 Q09428 3/20 0.39
KCNJ11 Q14654 3/20 0.39
KCNJ8 Q15842 3/20 0.39
AKR1B1 P15121 1/20 0.35
DHODH Q02127 2/20 0.35
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB11 O95342 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 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
SCHEMBL7676377 0.90 CDK2 (0.42) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676349 0.90 CDK2 (0.42) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676510 0.90 CDK2 (0.47) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7680020 0.89 CDK2 (0.41) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676621 0.87 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7679621 0.87 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676574 0.86 CDK2 (0.50) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7679500 0.85 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7682155 0.85 CDK2 (0.40) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7682053 0.85 CDK2 (0.40) CDK2CDK4ABCC9ABCC8KCNJ11

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