SCHEMBL285566

SCHEMBL285566

O=C(O)c1c(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 7/20 0.42
CCNE1 P24864 7/20 0.42
CDK2 P24941 7/20 0.42
CCNB2 O95067 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
MAPK1 P28482 1/20 0.38
FLT3 P36888 4/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.35
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
SLC29A1 Q99808 1/20 0.35
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL285150 0.79 MAPK1 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9937393 0.76 PRKCQ (0.43) MAPK1LMNAMAPTCSF1RALDH1A1
SCHEMBL15007485 0.69 RPS6KA3 (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL285235 0.66 CCNE2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12499752 0.66 JAK3 (0.43) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1694708 0.64 KDM4E (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2112360 0.64 CCNE2 (0.46) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL29705507 0.64 KDM4E (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL5261917 0.64 CCNE2 (0.66) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL25413337 0.63 ALDH1A1 (0.39) CCNE2CCNE1CDK2CCNB2CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 WO disclosed