SCHEMBL18048969

SCHEMBL18048969

O=C(Nc1ncc(Cl)cn1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 6/20 0.51
▸ CXCR1 P25024 1/20 0.44
▸ CXCR2 P25025 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ PLAU P00749 2/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18048963 0.86 L3MBTL1 (0.53) VNN1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL18048981 0.85 KDR (0.56) VNN1CXCR1CXCR2MAPTPDPK1
SCHEMBL18048953 0.84 PDPK1 (0.60) VNN1MAPTPDPK1KDM4EALDH1A1
SCHEMBL18049798 0.81 VNN1 (0.46) VNN1HDAC3HDAC1MAPTALDH1A1
SCHEMBL18048975 0.79 NAMPT (0.47) CXCR1CXCR2MAPTPDPK1ALDH1A1
SCHEMBL18070912 0.79 KDM4E (0.47) VNN1MAPTPDPK1KDM4EALDH1A1
SCHEMBL15528783 0.77 KMT2A (0.56) VNN1MAPTKDM4EALDH1A1HPGD
SCHEMBL18048998 0.77 ALDH1A1 (0.57) CXCR1CXCR2PDPK1ALDH1A1
SCHEMBL18049009 0.76 PDPK1 (0.47) VNN1CXCR1CXCR2MAPTPDPK1
SCHEMBL18048985 0.76 KDR (0.60) VNN1MAPTPDPK1PTK2

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-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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