SCHEMBL18048953

SCHEMBL18048953

O=C(Nc1ncc(Cl)cn1)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.60
▸ KDR P35968 13/20 0.58
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ VNN1 O95497 2/20 0.49

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
SCHEMBL18049006 0.87 KDR (0.62) PDPK1KDRKDM4EMAPTGAA
SCHEMBL18048969 0.84 VNN1 (0.51) PDPK1KDM4EMAPTALDH1A1KMT2A
SCHEMBL4163407 0.81 PDPK1 (0.63) PDPK1KDRKDM4EMAPTGAA
SCHEMBL18070922 0.80 KDM4E (0.62) PDPK1KDRKDM4EMAPTGAA
SCHEMBL15528705 0.79 MEN1 (0.79) PDPK1KDRKDM4EMAPTGAA
SCHEMBL31362715 0.78 KDR (0.79) PDPK1KDRKDM4EMAPTGAA
SCHEMBL1715643 0.78 DHODH (0.63) PDPK1KDRKDM4EMAPTGAA
SCHEMBL18049049 0.78 PDPK1 (0.65) PDPK1KDRKDM4EMAPTGAA
SCHEMBL18071001 0.77 MAPT (0.65) PDPK1KDRKDM4EMAPTGAA
SCHEMBL7012858 0.77 RPS6KB1 (0.64) PDPK1KDRKDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
Send feedback