SCHEMBL7683359

SCHEMBL7683359

Nc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.59
CDK4 P11802 5/20 0.57
AKT1 P31749 8/20 0.48
AKT2 P31751 8/20 0.48
USP7 Q93009 3/20 0.47
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45

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
SCHEMBL7673429 0.93 CDK2 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673469 0.92 CDK2 (0.57) CDK2CDK4AKT1AKT2USP7
SCHEMBL7682754 0.92 CDK2 (0.58) CDK2CDK4AKT1AKT2CDK1
SCHEMBL7673606 0.91 CDK2 (0.54) CDK2CDK4AKT1AKT2USP7
SCHEMBL7680211 0.91 CDK2 (0.60) CDK2CDK4AKT1AKT2USP7
SCHEMBL7676756 0.91 CDK2 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7683222 0.89 CDK2 (0.49) CDK2CDK4AKT1AKT2USP7
SCHEMBL7467961 0.89 AKT1 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673598 0.88 CDK2 (0.59) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7678849 0.88 AKT1 (0.55) CDK2CDK4AKT1AKT2USP7

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