SCHEMBL6244607

SCHEMBL6244607

O=C(c1ccc2c(c1)Cc1c(-c3ccc(C4C=CC(O)=CC4)cc3)n[nH]c1-2)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.63
SGK1 O00141 2/20 0.43
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 2/20 0.43
AURKA O14965 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
KDR P35968 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
MARK2 Q7KZI7 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
SCHEMBL4814869 0.83 CHEK1 (0.89) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL6783209 0.78 CHEK1 (1.00) CHEK1
SCHEMBL6786553 0.73 CHEK1 (1.00) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4807605 0.73 CHEK1 (0.60) CHEK1KDRKCNH2
SCHEMBL6789849 0.73 CHEK1 (0.79) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL6787533 0.73 CHEK1 (0.79) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL6789540 0.71 CHEK1 (0.81) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL6243766 0.69 CHEK1 (0.57) CHEK1KDR
SCHEMBL4810299 0.68 CHEK1 (1.00) CHEK1KDRKCNH2
SCHEMBL4811512 0.67 CHEK1 (1.00) CHEK1KDRKCNH2

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-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed