SCHEMBL5260494

SCHEMBL5260494

CCCCOc1c(C(=O)c2c(F)c(F)c(C)c(F)c2F)cnc2c1cnn2Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 7/20 0.45
CCNE2 O96020 7/20 0.45
CDK1 P06493 7/20 0.45
CDK4 P11802 7/20 0.45
CCNB1 P14635 7/20 0.45
CCND1 P24385 7/20 0.45
CCNE1 P24864 7/20 0.45
CDK2 P24941 7/20 0.45
CCND2 P30279 7/20 0.45
CCND3 P30281 7/20 0.45
CCNB3 Q8WWL7 7/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PDE4B Q07343 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL5262559 0.84 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL5262267 0.82 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL6188570 0.77 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPDE1A
SCHEMBL5260194 0.72 CCNE2 (0.53) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL587425 0.71 PDE4B (0.60) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL582644 0.71 PDE4B (0.60) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL30644829 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL2792459 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAPDE4B
SCHEMBL5262025 0.70 CCNE2 (0.55) CCNE2CCNE1CDK2MAPTSMN1; SMN2
SCHEMBL6188594 0.70 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAPDE1A

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-1043998-B1 USE OF PYRAZOLO [3,4-b] PYRIDINE AS CYCLIN DEPENDANT KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-03-07 EP disclosed