SCHEMBL6279989

SCHEMBL6279989

CCC(C)(C(=O)O)c1ccc2c(c1)NC(=O)c1ccc(Nc3cc(F)nc(F)c3F)cc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.49
BACE1 P56817 1/20 0.34
NTRK1 P04629 4/20 0.33
JAK2 O60674 4/20 0.33
CSF1R P07333 2/20 0.33
PDGFRB P09619 2/20 0.33
NTRK3 Q16288 2/20 0.33
IKBKB O14920 1/20 0.33
ABL1 P00519 1/20 0.33
INSR P06213 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
ROS1 P08922 1/20 0.33
FGR P09769 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL16712573 0.90 CHEK1 (0.52) CHEK1BACE1NTRK1JAK2CSF1R
SCHEMBL6397211 0.89 CHEK1 (0.55) CHEK1BACE1NTRK1CSF1RNTRK3
SCHEMBL4854682 0.87 CHEK1 (0.64) CHEK1BACE1NTRK1JAK2CSF1R
SCHEMBL4859120 0.84 CHEK1 (0.50) CHEK1BACE1NTRK1JAK2CSF1R
SCHEMBL6274689 0.78 CHEK1 (0.58) CHEK1BACE1
SCHEMBL16712639 0.78 CHEK1 (0.46) CHEK1JAK2CSF1RIKBKBKIT
SCHEMBL4847679 0.77 CHEK1 (0.58) CHEK1BACE1CSF1RIKBKB
SCHEMBL4883979 0.76 CHEK1 (0.61) CHEK1JAK2CSF1RIKBKBKIT
SCHEMBL6273200 0.75 CHEK1 (0.49) CHEK1
SCHEMBL4857784 0.74 CHEK1 (0.68) CHEK1BACE1NTRK1CSF1RNTRK3

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-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed