SCHEMBL16004751

SCHEMBL16004751

N=Cc1cc(Oc2ccc(F)cc2C(N)C(N)c2cc(F)ccc2Oc2ccc(NCCO)c(C=N)c2)ccc1NCCO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.37
▸ SLC6A4 P31645 7/20 0.37
▸ KCNH2 Q12809 5/20 0.37
▸ SCN9A Q15858 2/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 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
SCHEMBL17407528 0.85 NTRK1 (0.40) HTR2AKCNH2
SCHEMBL14436458 0.85 SLC6A4 (0.38) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL19057964 0.82 AR (0.41) —
SCHEMBL16004762 0.72 SLC6A4 (0.37) HTR2ASLC6A4KCNH2
SCHEMBL19057963 0.70 SLC6A4 (0.41) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL19057972 0.68 AR (0.42) HTR2ASLC6A4KCNH2
SCHEMBL13924849 0.67 SLC6A4 (0.46) HTR2ASLC6A4KCNH2
SCHEMBL14437176 0.66 PLA2G7 (0.41) —
SCHEMBL13274176 0.66 SCN9A (0.43) KCNH2SCN9A
SCHEMBL14435933 0.63 PLA2G7 (0.53) —

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-2961744-B1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC (US) 2017-06-28 — — EP disclosed
WO-2014134313-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2014-09-04 — — WO disclosed
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