SCHEMBL214000

SCHEMBL214000

NC(=O)c1[nH]cnc1C(=O)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 18/20 0.61
CDK2 P24941 18/20 0.61
CCNA1 P78396 18/20 0.61
RET P07949 2/20 0.48

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
SCHEMBL2735393 0.78 CCNA2 (0.54) CCNA2CDK2CCNA1
SCHEMBL18642904 0.73 RET (0.66) CCNA2CDK2CCNA1RET
SCHEMBL5867732 0.70 CCNA2 (0.62) CCNA2CDK2CCNA1
SCHEMBL5867628 0.70 CCNA2 (0.63) CCNA2CDK2CCNA1
SCHEMBL5867707 0.70 CCNA2 (0.82) CCNA2CDK2CCNA1
SCHEMBL5867638 0.70 CCNA2 (0.71) CCNA2CDK2CCNA1
SCHEMBL4314346 0.70 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867715 0.70 CCNA2 (0.70) CCNA2CDK2CCNA1
SCHEMBL213391 0.69 ALDH1A1 (0.76)
SCHEMBL7919995 0.69 CCNA2 (1.00) CCNA2CDK2CCNA1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed