SCHEMBL21776789

SCHEMBL21776789

Nc1nccc(-c2ccc3c(c2)CCCC3NC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ LMNA P02545 1/20 0.35

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
SCHEMBL28590955 0.87 BTK (0.43) BTKMEN1KMT2AKCNH2POLB
SCHEMBL28590953 0.81 KDM4C (0.40) BTK
SCHEMBL23362527 0.75 PRKCI (0.50) BTK
SCHEMBL23363265 0.75 KDM4C (0.56) BTKLMNA
SCHEMBL23363039 0.74 CYP11B2 (0.46) BTKPDE2A
SCHEMBL21791249 0.72 BTK (0.46) BTKKCNH2
SCHEMBL23363241 0.72 FFAR1 (0.47) BTKMEN1KMT2AMAPTLMNA
SCHEMBL23363421 0.71 TAS1R3 (0.46) MEN1KMT2APDE2ALMNA
SCHEMBL20533091 0.71 BTK (0.42) BTK
SCHEMBL20533090 0.71 BTK (0.42) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3843847-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) Merck Patent GmbH (DE) 2021-07-07 — — EP disclosed
WO-2020043638-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) MERCK PATENT GMBH (DE) 2020-03-05 — — WO disclosed
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