SCHEMBL28633335

SCHEMBL28633335

COc1c[nH]nc1-c1ccc(F)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
PDE10A Q9Y233 7/20 0.39
PDE2A O00408 3/20 0.39
MAPT P10636 1/20 0.38
CYP2A6 P11509 3/20 0.37
CYP2B6 P20813 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
CYP2E1 P05181 1/20 0.37
CTSA P10619 1/20 0.36
PDE5A O76074 2/20 0.36
PDE11A Q9HCR9 1/20 0.36
TDO2 P48775 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KIT P10721 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
SCHEMBL11620293 0.72 ALDH1A1 (0.46) CHEK1MAPTPDGFRB
SCHEMBL30443819 0.70 TLR8 (0.43) PDE10AMAPTCYP3A4CYP2C19PDGFRB
SCHEMBL22418950 0.69 ALDH1A1 (0.67) PDE10APDE2AMAPTCYP3A4PDGFRB
SCHEMBL4655563 0.69 MEN1 (0.55) CHEK1PDE10APDE2AMAPTCYP3A4
SCHEMBL21241506 0.69 PDE10A (0.43) CHEK1PDE10APDE2AMAPTPDGFRB
SCHEMBL20000896 0.68 HSD17B1 (0.50) CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL26104326 0.67 CYP2A6 (0.64) MAPTCYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL8431291 0.66 PDGFRB (0.38) MAPTPDGFRBKIT
SCHEMBL4735387 0.65 ERN1 (0.51) PDE10APDE2AMAPTPDGFRBPDGFRA
SCHEMBL30279632 0.65 AKT2 (0.50) CHEK1MAPTCYP2A6CYP2B6CYP3A4

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
CN-113490666-A Substituted pyrazolo [1,5-A ] pyridine compounds as inhibitors of FGFR tyrosine kinases 奥瑞生物药品公司 2021-10-08 CN disclosed