SCHEMBL18800610

SCHEMBL18800610

CCOc1cccc(Oc2ccc(-c3cncc(N)c3C(=N)N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ FURIN P09958 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 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
SCHEMBL18800626 0.88 SMN1; SMN2 (0.48) BTKF2F10FURINACACB
SCHEMBL18800606 0.80 NQO2 (0.43) BTKF2MAPTKMT2AHTT
SCHEMBL18800739 0.79 MEN1 (0.39) BTKF2F10MEN1KMT2A
SCHEMBL18800557 0.76 PRSS1 (0.45) MAPTKMT2AHTTMAPK10TP53
SCHEMBL18800738 0.74 TDO2 (0.49) MAPTKMT2ALMNACYP3A4MAPK1
SCHEMBL18800716 0.73 PRKCQ (0.37) BTKF2MAPTGAACYP3A4
SCHEMBL6115914 0.73 BTK (0.57) BTKMAPTTDP1
SCHEMBL18800867 0.73 BTK (0.50) BTKF10MAPTKMT2AGAA
SCHEMBL18800614 0.71 ERBB2 (0.42) CYP3A4
SCHEMBL18800873 0.70 SCN5A (0.37) CYP11B1CYP11B2

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
Send feedback