SCHEMBL7673485

SCHEMBL7673485

CSc1c(NC(=O)C(F)(F)F)nc2ccc(C(=O)c3ccccc3)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.42
CDK4 P11802 3/20 0.40
ABCC9 O60706 6/20 0.39
ABCC8 Q09428 6/20 0.39
KCNJ11 Q14654 6/20 0.39
KCNJ8 Q15842 6/20 0.39
PDK1 Q15118 4/20 0.39
PDK2 Q15119 4/20 0.39
PDK3 Q15120 4/20 0.39
PDK4 Q16654 4/20 0.39
ABCB11 O95342 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTR6 P50406 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNE1 P24864 1/20 0.35
TP53 P04637 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL7679375 0.89 CDK2 (0.41) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7677622 0.84 CDK2 (0.45) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7679500 0.82 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7680787 0.82 CDK2 (0.41) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7681461 0.80 CDK2 (0.40) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7679099 0.80 CDK2 (0.41) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7682123 0.80 CDK2 (0.43) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7683376 0.79 CDK2 (0.39) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676574 0.79 CDK2 (0.50) CDK2CDK4ABCC9ABCC8KCNJ11
SCHEMBL7676510 0.79 CDK2 (0.47) 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