SCHEMBL13924849

SCHEMBL13924849

CC(C)CNc1ccc(Oc2ccc(F)cc2CNCl)cc1C=N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 18/20 0.46
▸ HTR2A P28223 15/20 0.46
▸ KCNH2 Q12809 13/20 0.46
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL14436458 0.72 SLC6A4 (0.38) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL16004762 0.70 SLC6A4 (0.37) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19057972 0.68 AR (0.42) SLC6A4HTR2AKCNH2
SCHEMBL16004751 0.67 HTR2A (0.37) SLC6A4HTR2AKCNH2
SCHEMBL18359310 0.67 PTGS2 (0.34) MAPK8
SCHEMBL12298683 0.67 HTR2A (0.48) SLC6A4HTR2AKCNH2
SCHEMBL19057964 0.65 AR (0.41) —
SCHEMBL7642609 0.64 HTR2A (0.74) SLC6A4HTR2AKCNH2
SCHEMBL14437176 0.64 PLA2G7 (0.41) —
SCHEMBL13924873 0.64 SLC6A4 (0.47) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 — — EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
EP-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 — — WO disclosed
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