SCHEMBL29684281

SCHEMBL29684281

CC1(C)OB(c2cc3cccnc3cc2F)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
CASP6 P55212 1/20 0.36
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
CASP1 P29466 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
CASP7 P55210 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR4A2 P43354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3307250 0.82 KDM4E (0.42) ALDH1A1LPLLIPGHTTKDM4E
SCHEMBL21645897 0.81 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL15191712 0.80 LPL (0.49) LPLLIPGCYP1A2EGFR
SCHEMBL16431930 0.78 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL21541550 0.77 ALDH1A1 (0.39) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL22323962 0.77 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL29447097 0.77 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL31149524 0.75 EGFR (0.36) LPLLIPGEGFR
SCHEMBL31513479 0.75 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL418496 0.75 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1NPC1POLB

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
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 WO disclosed