SCHEMBL27110690

SCHEMBL27110690

CC(C)Oc1ccc2c(N3CCC(CCP(O)O)CC3)ncnc2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
ENPP1 P22413 3/20 0.45
KIT P10721 4/20 0.45
FLT3 P36888 4/20 0.45
CSF1R P07333 2/20 0.45
SUV39H1 O43463 1/20 0.42
PRMT1 Q99873 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL27110923 0.89 CYP1A2 (0.51) PDGFRBCYP1A2CYP2D6ENPP1KIT
SCHEMBL22300531 0.89 CYP1A2 (0.55) PDGFRBCYP1A2CYP2D6ENPP1KIT
SCHEMBL22300529 0.88 CYP1A2 (0.54) PDGFRBCYP1A2CYP2D6ENPP1KIT
SCHEMBL27111277 0.85 PDGFRB (0.57) PDGFRBKITFLT3CSF1R
SCHEMBL20813885 0.84 ENPP1 (0.64) PDGFRBCYP1A2CYP2D6ENPP1KIT
SCHEMBL27111014 0.82 ENPP1 (0.64) PDGFRBENPP1KITFLT3CSF1R
SCHEMBL22300248 0.82 CYP1A2 (0.59) CYP1A2CYP2D6ENPP1SUV39H1PRMT1
SCHEMBL22299724 0.82 CYP1A2 (0.59) CYP1A2CYP2D6ENPP1SUV39H1PRMT1
SCHEMBL27111127 0.81 CYP1A2 (0.56) CYP1A2CYP2D6ENPP1SUV39H1PRMT1
SCHEMBL27112138 0.81 CYP1A2 (0.80) PDGFRBCYP1A2CYP2D6ENPP1SUV39H1

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
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 EP disclosed