SCHEMBL24277079

SCHEMBL24277079

Cc1cc(-c2n[nH]c(CNC(=O)OC(C)(C)C)c2N=C(c2ccccc2)c2ccccc2)cc(C)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ GFER P55789 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ GRK2 P25098 1/20 0.33
▸ GRK3 P35626 1/20 0.33
▸ GRK7 Q8WTQ7 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL24276958 0.79 KDM4E (0.41) CYP1A2GFERHSD17B10L3MBTL1KDM4E
SCHEMBL24276959 0.71 KDM4E (0.39) CYP1A2GFERHSD17B10L3MBTL1KDM4E
SCHEMBL24276960 0.71 KDM4E (0.41) CYP1A2GFERHSD17B10L3MBTL1KDM4E
SCHEMBL18041432 0.67 HDAC1 (0.44) HDAC1L3MBTL1KDM4AACACBACACA
SCHEMBL7856762 0.66 IDO1 (0.42) CYP1A2KDM4ELMNAKDM4AACACB
SCHEMBL25546386 0.65 ALDH1A1 (0.52) CYP1A2KDM4ELMNAROCK2PARP1
SCHEMBL29187575 0.64 MAPKAPK2 (0.41) KDM4ELMNANAMPTAAK1
SCHEMBL30433088 0.64 MAPKAPK2 (0.41) KDM4ELMNANAMPTAAK1
SCHEMBL5258122 0.64 MAPK14 (0.48) CYP1A2KDM4ELMNAROCK2GRK2
SCHEMBL23118474 0.63 MEN1 (0.41) HDAC1KDM4EKDM4AALDH1A1AAK1

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-2022052958-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-03-17 — — WO disclosed
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