SCHEMBL29495237

SCHEMBL29495237

Nc1ccc(-n2ccnc2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
CYP19A1 P11511 2/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
IDO1 P14902 2/20 0.49
ENPP2 Q13822 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
NOTUM Q6P988 1/20 0.49
CYP3A4 P08684 2/20 0.47
NCOA3 Q9Y6Q9 1/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 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
SCHEMBL3490259 0.84 LMNA (0.63) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL993223 0.83 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL14259451 0.79 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL6259515 0.79 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL1449607 0.79 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL23884845 0.77 NCOA3 (0.51) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL27671178 0.77 LMNA (0.54) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL25442242 0.76 CYP11B1 (0.51) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL12586939 0.76 CYP11B1 (0.57) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL7475855 0.76 LMNA (0.53) LMNAMAPTCYP19A1CYP11B1CYP11B2

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
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed