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SCHEMBL4727348

SCHEMBL4727348

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 4/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ BRAF P15056 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL14292730 0.87 TEK (0.45) TEKHDAC3HDAC6BRAFTRPV1
SCHEMBL5483879 0.86 TEK (0.46) TEKHDAC3HDAC6BRAFTRPV1
SCHEMBL4725070 0.81 TEK (0.46) TEKBRAFTRPV1
SCHEMBL4414872 0.79 BRAF (0.49) TEKBRAFNR1I2NR1H4
SCHEMBL4726247 0.79 RAF1 (0.43) TEKBRAF
SCHEMBL4725698 0.78 RAF1 (0.48) TEKBRAFNR1H4
SCHEMBL4727623 0.78 NR1I2 (0.48) TEKBRAFNR1I2EGLN2
SCHEMBL4727508 0.77 RAF1 (0.47) TEKBRAF
SCHEMBL4410252 0.77 BRAF (0.46) TEKBRAF
SCHEMBL4726798 0.77 RAF1 (0.42) TEKHDAC3HDAC6BRAFTRPV1

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 — — WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 — — WO disclosed