SCHEMBL2910789

SCHEMBL2910789

OC1(Nc2nc(Cl)ncc2Cl)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL31243290 0.84 KMT2A (0.37) KMT2AGSK3AGSK3BAXL
SCHEMBL2062245 0.75 STK17B (0.36) KMT2ASTK17BSTK17ACNR2
SCHEMBL2061642 0.74 OPRL1 (0.39) KMT2ASTK17BSTK17A
SCHEMBL5246396 0.73 STK17B (0.40) KMT2ASTK17BSTK17A
SCHEMBL3263094 0.72 XDH (0.33) —
SCHEMBL2062275 0.70 STK17B (0.38) STK17BSTK17A
SCHEMBL28189209 0.68 ADORA2A (0.40) AXL
SCHEMBL3155098 0.68 STK17B (0.36) KMT2ASTK17BSTK17A
SCHEMBL2062278 0.67 STK17B (0.36) STK17BSTK17A
SCHEMBL5806420 0.67 GSK3A (0.65) KMT2AGSK3AGSK3B

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 — — EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — WO disclosed
Send feedback