SCHEMBL27699381

SCHEMBL27699381

Nc1ncc(Br)cc1-c1cccc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ CDK8 P49336 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ USP7 Q93009 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ DYRK2 Q92630 2/20 0.39
▸ DYRK1B Q9Y463 2/20 0.39
▸ DYRK3 O43781 1/20 0.39

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
SCHEMBL19721378 0.81 KMT2A (0.47) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL15359055 0.77 USP7 (0.60) HTTKMT2AMEN1POLBMAPT
SCHEMBL2226848 0.77 FYN (0.54) HTTKMT2ACDK8USP7DYRK1A
SCHEMBL12516853 0.77 ADORA1 (0.49) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL29857829 0.77 CHEK2 (0.53) HTTKMT2AMEN1MAPTUSP7
SCHEMBL26917180 0.77 CHEK2 (0.53) HTTKMT2AMEN1MAPTUSP7
SCHEMBL29857982 0.77 ADORA1 (0.49) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL27699378 0.77 FYN (0.49) HTTKMT2AUSP7MAP4K4CHEK2
SCHEMBL29858039 0.74 MAP4K4 (0.50) AXLDYRK1ADYRK3MAP4K4FYN
SCHEMBL26916986 0.74 MAP4K4 (0.50) AXLDYRK1ADYRK3MAP4K4FYN

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
CN-101027302-B Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC 2011-05-11 — — CN disclosed
CN-101027302-A Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC (US) 2007-08-29 — — CN disclosed
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