SCHEMBL4072944

SCHEMBL4072944

COC(=O)Cc1c[nH]c2ncc(-c3cnn(C)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
ALK Q9UM73 17/20 0.49
TNIK Q9UKE5 1/20 0.43

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
SCHEMBL4069914 0.89 ALK (0.53) PDPK1ALK
SCHEMBL3591973 0.86 PDPK1 (0.49) PDPK1ALK
SCHEMBL9284633 0.79 ALK (0.56) PDPK1ALK
SCHEMBL3596086 0.79 ALK (0.52) PDPK1ALKTNIK
SCHEMBL9887914 0.78 PDPK1 (0.52) PDPK1ALK
SCHEMBL9284637 0.78 ALK (0.50) PDPK1ALKTNIK
SCHEMBL28481416 0.77 PDPK1 (0.51) PDPK1ALK
SCHEMBL9887923 0.76 ALK (0.48) PDPK1ALK
SCHEMBL9282702 0.75 PDPK1 (0.47) PDPK1ALKTNIK
SCHEMBL3833314 0.75 ALK (0.52) PDPK1ALK

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-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed