SCHEMBL29617711

SCHEMBL29617711

O=C(NCc1ccc(B(O)O)cc1)c1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.60
HDAC1 Q13547 5/20 0.60
HDAC3 O15379 2/20 0.60
NCOR2 Q9Y618 1/20 0.60
SENP1 Q9P0U3 2/20 0.57
SENP5 Q96HI0 1/20 0.57
SENP2 Q9HC62 1/20 0.57
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RAB9A P51151 1/20 0.54
CLK1 P49759 1/20 0.54
NAMPT P43490 3/20 0.54
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL18641949 1.00 HDAC2 (0.60) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL25003385 0.84 HDAC2 (0.66) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL29008903 0.82 RAB9A (0.52) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL6919078 0.82 HDAC1 (0.70) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL28863161 0.82 HDAC1 (0.60) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL13494017 0.80 HDAC2 (0.63) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL12057508 0.80 HDAC2 (0.67) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL13494011 0.76 HDAC2 (0.62) HDAC2HDAC1HDAC3NCOR2SENP1
SCHEMBL18641957 0.76 L3MBTL1 (0.76) HDAC2HDAC1HDAC3RAB9ANAMPT
SCHEMBL25003417 0.76 HDAC2 (1.00) HDAC2HDAC1HDAC3NCOR2SENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
EP-3350184-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER LOXO ONCOLOGY INC (US) 2022-10-19 EP disclosed
CN-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 CN disclosed
CN-108431007-B Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-06-07 CN disclosed