SCHEMBL30289690

SCHEMBL30289690

Cc1ncc(COc2cc(F)cc(Oc3ccc(C(=O)Cl)cc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.44
▸ MAOB P27338 8/20 0.40
▸ NR4A2 P43354 2/20 0.39
▸ MAOA P21397 1/20 0.38
▸ PARP10 Q53GL7 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ ST14 Q9Y5Y6 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ PPARG P37231 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
SCHEMBL28994247 1.00 BTK (0.44) BTKMAOBNR4A2MAOAPARP10
SCHEMBL28994206 0.89 NR4A2 (0.51) BTKNR4A2NPC1RAB9APPARG
SCHEMBL30289685 0.89 NR4A2 (0.51) BTKNR4A2NPC1RAB9APPARG
SCHEMBL30289606 0.88 PARP10 (0.52) BTKMAOBPARP10ALDH1A1F2
SCHEMBL28994191 0.87 MRGPRX4 (0.47) BTKMAOBNPC1ALDH1A1RAB9A
SCHEMBL16748844 0.84 BTK (0.47) BTKMAOBMAOA
SCHEMBL18900705 0.76 BTK (0.43) BTKMAOBALDH1A1RAB9A
SCHEMBL16748845 0.74 DGAT1 (0.44) BTK
SCHEMBL15613577 0.74 CYP4F2 (0.40) BTKMAOBMAOA
SCHEMBL28994194 0.71 BTK (0.39) BTKMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 — — CN disclosed
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