SCHEMBL15323107

SCHEMBL15323107

CC1(C)CCN2CC[C@H](Nc3nc(Nc4ccc(OC5CC(O)C5)c(OC(F)F)c4)ncc3F)C[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.39
▸ ITK Q08881 3/20 0.39
▸ BCL6 P41182 2/20 0.39
▸ BTK Q06187 4/20 0.38
▸ ALK Q9UM73 5/20 0.37
▸ ULK1 O75385 1/20 0.36
▸ ULK2 Q8IYT8 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL15323804 0.89 EGFR (0.44) EGFRITKBCL6BTKALK
SCHEMBL15323103 0.86 EGFR (0.39) EGFRITKBCL6BTKALK
SCHEMBL15321742 0.86 EGFR (0.39) EGFRITKBCL6BTKALK
SCHEMBL15322328 0.78 EGFR (0.40) EGFRITKBCL6BTKALK
SCHEMBL15320905 0.78 EGFR (0.40) EGFRITKBCL6BTKALK
SCHEMBL19527724 0.76 EGFR (0.40) EGFRITKBCL6BTKALK
SCHEMBL15320781 0.76 BCL6 (0.46) EGFRITKBCL6BTKALK
SCHEMBL15321035 0.75 BCL6 (0.48) EGFRITKBCL6BTK
SCHEMBL15337337 0.75 BCL6 (0.48) EGFRITKBCL6BTK
SCHEMBL19527748 0.74 TBK1 (0.37) EGFRITKALKULK1

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-2833889-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2015-02-11 — — EP disclosed
WO-2013152198-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2013-10-10 — — WO disclosed
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