SCHEMBL19995461

SCHEMBL19995461

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2=O)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ NR1H2 P55055 4/20 0.34
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ AEBP2 Q6ZN18 1/20 0.33

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
SCHEMBL19995475 0.86 PIK3CD (0.40) PIK3CDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18096385 0.82 CRBN (0.42) PIK3CDGPR119MAPTNR1H2CTSD
SCHEMBL18096372 0.80 RAB9A (0.44) GPR119NPC1RAB9AMAPTL3MBTL1
SCHEMBL19995492 0.77 SMN1; SMN2 (0.41) PIK3CDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26125514 0.72 PANK3 (0.40) PIK3CDGPR119
SCHEMBL30546297 0.72 PANK3 (0.40) PIK3CDGPR119
SCHEMBL24700268 0.72 USP30 (0.48) PIK3CDGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL18096155 0.71 MAP4K4 (0.42) NR1H2CSNK2A1MAP4K4NR1H3
SCHEMBL19995494 0.69 ATR (0.36) SMN1; SMN2MAPTNR1H2CSNK2A1MAP4K4
SCHEMBL18096349 0.69 MAP4K4 (0.36) SMN1; SMN2MAPTNR1H2CSNK2A1MAP4K4

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 2 patents. 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
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
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