SCHEMBL7683222

SCHEMBL7683222

Nc1nc2ccc(C(=O)c3cccnc3)cn2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.49
CDK4 P11802 4/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
AKT1 P31749 6/20 0.43
AKT2 P31751 6/20 0.43
F12 P00748 1/20 0.43
CCNA2 P20248 2/20 0.42
USP7 Q93009 1/20 0.41
TBXAS1 P24557 1/20 0.41
PTAFR P25105 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL7683359 0.89 CDK2 (0.59) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673469 0.87 CDK2 (0.57) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673429 0.83 CDK2 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7682754 0.82 CDK2 (0.58) CDK2CDK4AKT1AKT2CDK1
SCHEMBL7467961 0.81 AKT1 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673606 0.81 CDK2 (0.54) CDK2CDK4AKT1AKT2USP7
SCHEMBL7676756 0.81 CDK2 (0.56) CDK2CDK4AKT1AKT2USP7
SCHEMBL7673518 0.81 KMT2A (0.49) CDK2CDK4AKT1AKT2USP7
SCHEMBL7680211 0.81 CDK2 (0.60) CDK2CDK4AKT1AKT2USP7
SCHEMBL7682998 0.81 CDK2 (0.59) CDK2CDK4CDK1CCNB1CCND1

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