SCHEMBL13635731

SCHEMBL13635731

COc1c(OC(O)O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.50
CCNA2 P20248 5/20 0.50
CCND1 P24385 5/20 0.50
CDK2 P24941 5/20 0.50
KDR P35968 5/20 0.50
CCND3 P30281 4/20 0.50
PDGFRB P09619 2/20 0.39
ALPL P05186 1/20 0.37
TTK P33981 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CHEK1 O14757 3/20 0.36
FGFR1 P11362 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL2871126 0.81 KDR (0.50) CDK4CCNA2CCND1CDK2KDR
SCHEMBL2861482 0.81 CDK4 (0.48) CDK4CCNA2CCND1CDK2KDR
SCHEMBL2864790 0.80 CDK2 (0.49) CDK4CCNA2CCND1CDK2KDR
SCHEMBL13636075 0.80 CDK4 (0.47) CDK4CCNA2CCND1CDK2KDR
SCHEMBL2865609 0.76 CDK4 (0.46) CDK4CCNA2CCND1CDK2KDR
SCHEMBL4329101 0.75 CDK4 (0.41) CDK4CCNA2CCND1CDK2KDR
SCHEMBL2864594 0.74 KDR (0.47) CDK4CCNA2CCND1CDK2KDR
SCHEMBL2864750 0.74 CDK2 (0.43) CDK4CCNA2CCND1CDK2KDR
SCHEMBL6545212 0.74 CDK4 (0.44) CDK4CCNA2CCND1CDK2KDR
SCHEMBL4343373 0.74 ROCK2 (0.40) CDK4CCNA2CCND1CDK2KDR

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
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed