SCHEMBL21217618

SCHEMBL21217618

CNC(=O)COC1=CC=C(c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)CC1OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ROCK2 O75116 10/20 0.37
▸ ROCK1 Q13464 9/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDR P35968 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
SCHEMBL24094355 0.82 ROCK1 (0.48) MEN1KMT2ANPC1ROCK2ROCK1
SCHEMBL24094395 0.81 ROCK2 (0.48) MEN1KMT2AROCK2ROCK1
SCHEMBL21217914 0.81 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL24610390 0.79 ROCK1 (0.46) ROCK2ROCK1
SCHEMBL24094088 0.79 ROCK1 (0.47) MEN1KMT2ANPC1EGFRROCK2
SCHEMBL22966949 0.76 MAOB (0.46) MEN1KMT2ANPC1EGFRROCK2
SCHEMBL24094285 0.76 NPC1 (0.40) MEN1KMT2ANPC1EGFRROCK2
SCHEMBL21217819 0.76 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL24610411 0.74 ROCK2 (0.49) MEN1KMT2ANPC1ROCK2ROCK1
SCHEMBL24610388 0.74 ROCK1 (0.50) MEN1KMT2ANPC1ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO disclosed
Send feedback