SCHEMBL27699378

SCHEMBL27699378

Nc1ncc(Br)cc1-c1cccc(C(=O)c2cccc(-c3cc(Br)cnc3N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 7/20 0.49
▸ MAP4K4 O95819 3/20 0.49
▸ CHEK2 O96017 5/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ USP7 Q93009 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ DDT P30046 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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) FYNMAP4K4USP7HTTKMT2A
SCHEMBL2226848 0.80 FYN (0.54) FYNMAP4K4USP7HTTKMT2A
SCHEMBL15359055 0.77 USP7 (0.60) FYNMAP4K4CHEK2MKNK1USP7
SCHEMBL12516853 0.77 ADORA1 (0.49) FYNMAP4K4USP7HTTKMT2A
SCHEMBL29857982 0.77 ADORA1 (0.49) FYNMAP4K4USP7HTTKMT2A
SCHEMBL26917180 0.77 CHEK2 (0.53) FYNMAP4K4CHEK2USP7HTT
SCHEMBL29857829 0.77 CHEK2 (0.53) FYNMAP4K4CHEK2USP7HTT
SCHEMBL27699381 0.77 ALDH1A1 (0.46) FYNMAP4K4CHEK2MKNK1USP7
SCHEMBL18770608 0.76 MAP4K4 (0.47) FYNMAP4K4DDT
SCHEMBL12516834 0.76 FYN (0.69) FYNMAP4K4CHEK2MKNK1

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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