SCHEMBL18049776

SCHEMBL18049776

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccnnc1NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.49
▸ KDR P35968 6/20 0.48
▸ KDM5B Q9UGL1 1/20 0.45
▸ PTK2 Q05397 1/20 0.43
▸ CXCR1 P25024 2/20 0.42
▸ CXCR2 P25025 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ SRPK3 Q9UPE1 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ VNN1 O95497 1/20 0.40

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
SCHEMBL18049049 0.87 PDPK1 (0.65) PDPK1KDRMAPTALDH1A1KDM4E
SCHEMBL18070890 0.82 KDR (0.57) PDPK1KDRPTK2CXCR1CXCR2
SCHEMBL18049009 0.82 PDPK1 (0.47) PDPK1KDRPTK2CXCR1CXCR2
Hydrochloric Acid SCHEMBL18049005 0.81 PDPK1 (0.46) PDPK1KDRPTK2CXCR1CXCR2
SCHEMBL18071016 0.77 KCNQ3 (0.45) —
SCHEMBL6103736 0.75 KDM5B (0.76) KDM5BMAPTKDM4EKMT2AP4HTM
SCHEMBL18049040 0.74 TUBB4A (0.64) PDPK1KDRMAPTALDH1A1KDM4E
SCHEMBL18048949 0.74 KDR (0.84) PDPK1KDRMAPTKDM4EMEN1
SCHEMBL18049008 0.73 KDR (0.61) PDPK1KDRMAPTALDH1A1KDM4E
SCHEMBL18049839 0.73 PDPK1 (0.63) PDPK1KDRMAPTALDH1A1KDM4E

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-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-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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