SCHEMBL29617730

SCHEMBL29617730

O=C(NCc1ccc(B(O)O)cc1)c1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.57
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NSD2 O96028 1/20 0.50
MEN1 O00255 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
HPGD P15428 2/20 0.47
EGFR P00533 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PARP1 P09874 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL18641961 1.00 EGLN1 (0.57) EGLN1KMT2ANPC1RAB9ANSD2
SCHEMBL6983554 0.85 EGLN1 (0.76) EGLN1KMT2ANPC1RAB9ANSD2
SCHEMBL12186787 0.82 HDAC6 (0.68) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15447128 0.82 EGLN1 (0.57) EGLN1KMT2ANPC1RAB9ANSD2
SCHEMBL28239389 0.82 EGLN1 (0.60) EGLN1KMT2ANPC1RAB9ANSD2
SCHEMBL29617700 0.79 HPGD (0.64) EGLN1KMT2AMEN1HPGDMAPT
SCHEMBL18641858 0.79 HPGD (0.64) EGLN1KMT2AMEN1HPGDMAPT
SCHEMBL4969813 0.76 ALDH1A1 (0.64) EGLN1KMT2ANPC1RAB9AMEN1
SCHEMBL16644229 0.75 NAMPT (0.64)
SCHEMBL25275225 0.75 KMT2A (0.64) KMT2ATRPV1HPGDHDAC3HDAC4

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