SCHEMBL23937890

SCHEMBL23937890

Cn1nc(F)c2c1CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 4/20 0.32
HTT P42858 3/20 0.32
PLK1 P53350 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
ATM Q13315 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SSTR4 P31391 1/20 0.32
PARP1 P09874 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13159948 0.76 KDM4E (0.46) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL20866435 0.75 SSTR4 (0.33) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL20939482 0.74 POLB (0.34) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL20631145 0.74 LMNA (0.30) KDM4ELMNA
SCHEMBL14737830 0.74 POLB (0.34) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL15730331 0.74 LMNA (0.51) POLBCYP1A2GAAHTTLMNA
SCHEMBL14752475 0.71 PARP1 (0.43) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL17051109 0.71 POLB (0.36) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL14751267 0.71 BRD4 (0.41) POLBCYP1A2GAAKDM4EGRM5
SCHEMBL14738222 0.70 POLB (0.38) POLBCYP1A2GAAKDM4EGRM5

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed