SCHEMBL30673283

SCHEMBL30673283

COCc1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
CYP19A1 P11511 3/20 0.38
ALOX5 P09917 1/20 0.38
ESPL1 Q14674 1/20 0.37
IDO1 P14902 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2015555 1.00 ACP1 (0.42) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL28421376 0.87 ACP1 (0.43) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL11273785 0.87 CYP19A1 (0.50) TSHRHTTPOLBCYP19A1ALOX5
SCHEMBL5944012 0.82 F2RL3 (0.39) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL8570170 0.81 HTT (0.48) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL18538952 0.80 HTT (0.47) TSHRHTTPOLBCYP19A1ALOX5
SCHEMBL602087 0.79 ACP1 (0.42) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL29735419 0.79 ACP1 (0.42) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL2504040 0.79 ACP1 (0.36) ACP1CHRNB4CHRNA3TSHRHTT
SCHEMBL18545294 0.79 TSHR (0.51) TSHRHTTPOLBCYP19A1IDO1

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-119698416-A Imidazo (1, 2-A) pyridine derivatives as RIPK2 inhibitors 英特莱治疗公司 2025-03-25 CN disclosed
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 WO disclosed