SCHEMBL8187698

SCHEMBL8187698

NCC(=O)Oc1ncnc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.53
▸ CDC7 O00311 3/20 0.51
▸ DBF4 Q9UBU7 3/20 0.51
▸ CDK2 P24941 2/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ TP53 P04637 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ PI4KA P42356 2/20 0.45
▸ PI4K2B Q8TCG2 2/20 0.45
▸ PI4K2A Q9BTU6 2/20 0.45
▸ PI4KB Q9UBF8 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ XDH P47989 1/20 0.45
▸ MGMT P16455 2/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHEK2 O96017 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
SCHEMBL2938609 0.80 PDPK1 (0.62) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL38657082 0.76 PDPK1 (0.57) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL4397297 0.75 PDPK1 (0.55) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL2938157 0.74 CDC7 (0.59) PDPK1CDC7DBF4CDK2TP53
SCHEMBL9621465 0.73 PDPK1 (0.47) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL2940697 0.73 PDPK1 (0.67) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL4496030 0.72 CDC7 (0.60) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL17165605 0.71 MKNK1 (0.52) PDPK1CDC7DBF4TP53TSHR
SCHEMBL528456 0.71 CDC7 (0.50) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL3388864 0.70 PDPK1 (0.68) PDPK1CDC7DBF4CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6086871-A PROTHROMBIN MUTANT HAVING BINDING CAPACITY TO HIRUDIN, HEPARIN, AND ANTITHROMBIN; SPECIFIC REPLACEMENTS OR DELETIONS IN THEIR AMINO ACID SEQUENCES, AND AN ACTIVITY OF NO MORE THAN 0.25% OF THROMBIN; ANTICOAGULANT SIDE EFFECT REDUCTION BAXTER AKTIENGESELLSCHAFT (AT) 2000-07-11 — — US disclosed
Send feedback