SCHEMBL19995500

SCHEMBL19995500

COC(=O)c1cc(C)nc(N2CCNC(C)(C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
HDAC1 Q13547 1/20 0.41
PRKCQ Q04759 1/20 0.40
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CSF1R P07333 2/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
FGFR4 P22455 1/20 0.37
AURKA O14965 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CSNK1E P49674 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL1578875 0.87 PRKD1 (0.44) PRKD1PRKD2HDAC1PRKCQKDM4E
SCHEMBL30686600 0.81 PRKD1 (0.48) PRKD1PRKD2HDAC1PRKCQKDM4E
Hydrochloric Acid SCHEMBL28543430 0.80 PRKD1 (0.48) PRKD1PRKD2HDAC1PRKCQKDM4E
Hydrochloric Acid SCHEMBL31368928 0.79 PRKD1 (0.39) PRKD1PRKD2HDAC1PRKCQKDM4E
SCHEMBL31369004 0.78 LATS1 (0.38) PRKD1PRKD2HDAC1PRKCQKDM4E
SCHEMBL31320165 0.75 PTGER4 (0.44) KDM4EKMT2AMEN1PIK3CAPIK3CB
SCHEMBL20000452 0.75 PRKCQ (0.61) PRKD1PRKD2HDAC1PRKCQKDM4E
SCHEMBL30686532 0.75 CHRNB2 (0.45) HDAC1CSF1RFGFR1FGFR2FGFR3
SCHEMBL31368772 0.75 CHRNB2 (0.45) HDAC1CSF1RFGFR1FGFR2FGFR3
SCHEMBL19367477 0.75 PIK3CA (0.60) KMT2AMEN1AURKAPIK3CAPIK3CB

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-2018057588-A1 FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-29 WO disclosed