SCHEMBL18800413

SCHEMBL18800413

CNC(=O)c1ccc(-c2cc(N)c(C(=N)N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.62
▸ CHEK2 O96017 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL18800659 0.91 BTK (0.51) BTKSMN1; SMN2HPGDPLAUMCL1
SCHEMBL18800820 0.90 BTK (0.51) BTKCHEK2F2F10SMN1; SMN2
SCHEMBL16168188 0.89 ALDH1A1 (0.53) BTKSMN1; SMN2HPGDMCL1MAPT
SCHEMBL16168193 0.89 PARP10 (0.51) BTKCHEK2F2MCL1XDH
SCHEMBL18800685 0.87 BTK (0.64) BTKF2SMN1; SMN2HTTMCL1
SCHEMBL18800407 0.87 F2 (0.49) BTKF2F10PLAUMCL1
SCHEMBL18800779 0.87 XDH (0.47) BTKMCL1NPC1RAB9AXDH
SCHEMBL18800673 0.87 PGR (0.53) BTKF2HDAC3BRAFHDAC4
SCHEMBL16168190 0.87 BTK (0.54) BTKF10ALDH1A1ATRMMP13
SCHEMBL18800684 0.86 BTK (0.47) BTKF2SMN1; SMN2HPGDHDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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