SCHEMBL20876972

SCHEMBL20876972

CC(n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccc(F)cc3)nc21)C(C)(C)C.CS(=O)(=O)O

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.60

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
SCHEMBL4063775 1.00 MAPK14 (0.60) MAPK14
SCHEMBL29595117 1.00 MAPK14 (0.60) MAPK14
SCHEMBL29437773 0.95 MAPK14 (0.66) MAPK14
SCHEMBL4064522 0.95 MAPK14 (0.66) MAPK14
SCHEMBL20877533 0.95 MAPK14 (0.66) MAPK14
SCHEMBL20873896 0.91 MAPK14 (0.59) MAPK14
SCHEMBL29594870 0.91 MAPK14 (0.59) MAPK14
SCHEMBL4071790 0.91 MAPK14 (0.59) MAPK14
SCHEMBL3997834 0.89 MAPK14 (0.62) MAPK14
SCHEMBL20876971 0.86 MAPK14 (0.55) MAPK14

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
EP-3691620-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2020-08-12 EP disclosed
WO-2019071147-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2019-04-11 WO disclosed