SCHEMBL18049049

SCHEMBL18049049

O=C(Nc1ccc(C(F)(F)F)nc1)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.65
▸ KDR P35968 15/20 0.64
▸ KDM4E B2RXH2 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.50
▸ ABCB1 P08183 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
SCHEMBL18048949 0.87 KDR (0.84) PDPK1KDRKDM4EGAAMAPT
SCHEMBL18049008 0.87 KDR (0.61) PDPK1KDRKDM4EGAAMAPT
SCHEMBL18049776 0.87 PDPK1 (0.49) PDPK1KDRKDM4EGAAMAPT
SCHEMBL18049040 0.86 TUBB4A (0.64) PDPK1KDRKDM4EGAAMAPT
SCHEMBL18049839 0.86 PDPK1 (0.63) PDPK1KDRKDM4EGAAMAPT
SCHEMBL18070890 0.85 KDR (0.57) PDPK1KDRALDH1A1
SCHEMBL18049009 0.85 PDPK1 (0.47) PDPK1KDRKDM4EMAPTALDH1A1
SCHEMBL18048997 0.85 KDR (0.65) PDPK1KDRKDM4EGAAMAPT
Hydrochloric Acid SCHEMBL18049005 0.84 PDPK1 (0.46) PDPK1KDRKDM4EMAPTALDH1A1
SCHEMBL15528705 0.83 MEN1 (0.79) PDPK1KDRKDM4EGAAMAPT

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-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-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
Send feedback