SCHEMBL18049006

SCHEMBL18049006

O=C(Nc1ccc(Cl)cn1)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.62
▸ PDPK1 O15530 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ F10 P00742 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL18048953 0.87 PDPK1 (0.60) KDRPDPK1KDM4EL3MBTL1MAPT
SCHEMBL18048963 0.85 L3MBTL1 (0.53) SMN1; SMN2TDP1F10L3MBTL1MAPT
SCHEMBL4163407 0.79 PDPK1 (0.63) KDRPDPK1KDM4EL3MBTL1MAPT
SCHEMBL5390845 0.79 F10 (0.62) KDRF10
SCHEMBL18070922 0.78 KDM4E (0.62) KDRPDPK1KDM4EL3MBTL1MAPT
SCHEMBL15528705 0.78 MEN1 (0.79) KDRPDPK1TDP1KDM4EL3MBTL1
SCHEMBL15528935 0.78 KDR (0.84) KDRTDP1KDM4EL3MBTL1MAPT
SCHEMBL429452 0.77 KDR (1.00) KDR
SCHEMBL31362715 0.77 KDR (0.79) KDRPDPK1KDM4EL3MBTL1MAPT
SCHEMBL1715912 0.76 KDR (0.64) KDRSMN1; SMN2KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO claimed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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