SCHEMBL4694473

SCHEMBL4694473

CC(=O)c1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)s1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 13/20 0.63
MKNK1 Q9BUB5 4/20 0.53
IKBKB O14920 1/20 0.49
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 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
SCHEMBL4695095 0.82 FYN (0.67) FYNIKBKB
SCHEMBL15254599 0.81 MKNK1 (0.57) FYNMKNK1IKBKB
SCHEMBL19467148 0.81 FYN (0.62) FYNMKNK1IKBKBPIM1
SCHEMBL19467246 0.81 IKBKB (0.52) FYNMKNK1IKBKBPIM1PIM2
SCHEMBL4692424 0.80 FYN (0.64) FYNMKNK1IKBKB
SCHEMBL15254184 0.80 FYN (0.55) FYNMKNK1IKBKBPIM1
SCHEMBL15254545 0.79 IKBKB (0.53) FYNMKNK1IKBKB
SCHEMBL15254759 0.79 IKBKB (0.53) FYNMKNK1IKBKB
Hydrochloric Acid SCHEMBL3453044 0.79 FYN (0.84) FYNMKNK1PIM1
SCHEMBL19466949 0.78 IKBKB (0.55) FYNMKNK1IKBKBPIM1PIM2

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-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed