SCHEMBL3636348

SCHEMBL3636348

Cn1c(=O)c(-c2cc(N)ccc2Cl)c(-c2c(F)cccc2F)c2cn[nH]c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
ABL1 P00519 5/20 0.35
WEE1 P30291 1/20 0.34
SRC P12931 5/20 0.33
FGFR1 P11362 2/20 0.33
EGFR P00533 2/20 0.33
TP53 P04637 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
MAPK14 Q16539 2/20 0.33
GRM1 Q13255 1/20 0.33
KIT P10721 1/20 0.33
DPP4 P27487 1/20 0.33
PDE7A Q13946 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL4431925 0.72 KDM4E (0.38) BRD4FGFR1PTK2LMNA
SCHEMBL3767381 0.64 MAPK14 (0.65) ABL1WEE1SRCFGFR1EGFR
SCHEMBL24885871 0.61 WEE1 (0.59) ABL1WEE1SRCFGFR1EGFR
SCHEMBL30078284 0.61 WEE1 (0.59) ABL1WEE1SRCFGFR1EGFR
SCHEMBL25300623 0.61 BRD4 (0.51) BRD4
SCHEMBL31118294 0.58 CYP3A4 (0.48) BRD4WEE1TP53PDE7ABRDT
SCHEMBL31118320 0.58 CYP3A4 (0.48) BRD4WEE1TP53PDE7ABRDT
SCHEMBL26602092 0.57 ALDH1A1 (0.39) LMNA
SCHEMBL25223981 0.57 BRD4 (0.42) BRD4TP53LMNA
SCHEMBL14747016 0.57 THRB (0.44) TP53LMNA

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-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 WO disclosed