SCHEMBL29536937

SCHEMBL29536937

Nc1cccc(N)c1-c1ncc2c(n1)N1CCN=C1C(Oc1ccc(F)cc1F)=C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ PTAFR P25105 1/20 0.30
▸ DHFR P00374 1/20 0.30
▸ DCPS Q96C86 1/20 0.30

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
SCHEMBL29537219 0.85 MAPK14 (0.32) L3MBTL1KDM4EALDH1A1NPSR1MAPK14
SCHEMBL26077874 0.82 MAPK8 (0.33) KDM4EALDH1A1NPSR1MAPK14MAP4K4
SCHEMBL25420591 0.80 MET (0.35) MAPK14TRPA1PTGS2
SCHEMBL29537104 0.80 MET (0.35) MAPK14TRPA1PTGS2
SCHEMBL30595879 0.80 SYK (0.44) —
SCHEMBL26075403 0.80 SYK (0.44) —
SCHEMBL25421846 0.79 BRD4 (0.46) MAPK14PTGS2
SCHEMBL29536472 0.79 BRD4 (0.46) MAPK14PTGS2
SCHEMBL30595902 0.78 MAPK8 (0.41) MAPK14
SCHEMBL26075404 0.78 MAPK8 (0.41) 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-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
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