SCHEMBL29709475

SCHEMBL29709475

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1cnc2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.52
JAK2 O60674 3/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9983255 1.00 BTK (0.52) BTKJAK2POLBMEN1KMT2A
SCHEMBL13893967 0.88 BTK (0.47) BTKJAK2POLBMEN1KMT2A
SCHEMBL149181 0.86 BTK (0.50) BTKJAK2POLB
SCHEMBL12070562 0.86 BTK (0.50) BTKJAK2POLB
SCHEMBL29709471 0.86 BTK (0.50) BTKJAK2POLB
SCHEMBL708646 0.84 BTK (0.49) BTKJAK2POLBMEN1KMT2A
SCHEMBL9983905 0.84 BTK (0.59) BTKJAK2POLB
SCHEMBL12070563 0.82 BTK (0.50) BTKJAK2KMT2ARAB9ANPC1
SCHEMBL14860170 0.79 JAK2 (0.61) BTKJAK2POLBMEN1KMT2A
SCHEMBL122995 0.75 MEN1 (0.56) BTKJAK2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368362-A Quinoxalinone derivatives as BTK inhibitors and application thereof 华东理工大学 2022-11-22 CN disclosed
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed