SCHEMBL13270196

SCHEMBL13270196

O=CNc1cc(Cl)cc2c1[nH]c1cncc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.41
▸ ICOSLG O75144 8/20 0.39
▸ ICOS Q9Y6W8 8/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ IKBKG Q9Y6K9 1/20 0.37
▸ ROCK2 O75116 3/20 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
SCHEMBL13270049 0.85 CHUK (0.44) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1803429 0.77 CHUK (0.56) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13268756 0.77 CHUK (0.70) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1798677 0.68 CHUK (0.55) CHUKMEN1KMT2AROCK2
SCHEMBL1798318 0.62 CHUK (0.44) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL10144169 0.61 CCR2 (0.33) MEN1KMT2A
SCHEMBL1798096 0.61 CHUK (0.56) CHUKICOSLGICOSROCK2
SCHEMBL29623551 0.60 PIK3CA (0.33) MEN1KMT2A
SCHEMBL2768231 0.60 CHUK (0.78) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL28166035 0.60 CDK4 (0.43) MEN1KMT2A

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
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
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