SCHEMBL4728461

SCHEMBL4728461

CC12CC(C1)CC(C)(C(N)=O)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1520879 0.70 APLNR (0.37) MEN1KMT2A
SCHEMBL18992124 0.65 PKM (0.50) TDP1PKMKMT2A
SCHEMBL2329819 0.64 KMT2A (0.32) TDP1KMT2A
SCHEMBL16038530 0.63
SCHEMBL4214351 0.63
SCHEMBL29090009 0.61 TDP1 (0.34) TDP1
SCHEMBL29464166 0.61 PKM (0.32) PKM
Hydrochloric Acid SCHEMBL31074189 0.61
SCHEMBL14470773 0.61
SCHEMBL20672666 0.60 PKM (0.61) PKMMEN1KMT2A

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
WO-2008045978-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-04-17 WO claimed
WO-2008045978-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-04-17 WO disclosed