SCHEMBL20054019

SCHEMBL20054019

Cc1cc(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)ncn2)ccc1CNC(=O)C(=N)/C=C\NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.43
▸ TBK1 Q9UHD2 2/20 0.43
▸ BTK Q06187 4/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ HSF1 Q00613 1/20 0.38
▸ WNT3A P56704 1/20 0.37
▸ JAK3 P52333 8/20 0.35
▸ JAK1 P23458 6/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ JAK2 O60674 2/20 0.35

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
SCHEMBL20054055 0.87 IKBKE (0.43) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL16794044 0.83 IKBKE (0.49) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL16794039 0.79 BTK (0.45) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL16794198 0.79 BTK (0.65) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL16794467 0.79 IKBKE (0.44) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL16794380 0.79 IKBKE (0.51) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL20445711 0.78 IKBKE (0.48) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL29676766 0.78 IKBKE (0.48) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL19557886 0.78 IKBKE (0.60) IKBKETBK1BTKCCNT1CCNE1
SCHEMBL29676713 0.77 IKBKE (0.47) IKBKETBK1BTKCCNT1CCNE1

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-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 — — EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
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