SCHEMBL3108619

SCHEMBL3108619

NCCc1ccncc1.O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCCc1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.79
▸ MAPT P10636 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ L3MBTL1 Q9Y468 3/20 0.79
▸ RXFP1 Q9HBX9 3/20 0.79
▸ LMNA P02545 3/20 0.79
▸ HTT P42858 2/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ HPGD P15428 1/20 0.79
▸ NPSR1 Q6W5P4 1/20 0.79
▸ KDR P35968 11/20 0.63
▸ KDM4E B2RXH2 3/20 0.60
▸ FLT1 P17948 2/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ CSF1R P07333 1/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ KIT P10721 1/20 0.58
▸ FLT4 P35916 1/20 0.58
▸ GLA P06280 1/20 0.58

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
SCHEMBL3118645 0.95 MEN1 (0.87) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL5666682 0.87 RXFP1 (0.76) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL427615 0.86 KDR (0.84) MEN1MAPTKMT2AL3MBTL1RXFP1
Hydrochloric Acid SCHEMBL447740 0.85 KDR (0.83) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL4981375 0.82 RXFP1 (0.84) MEN1MAPTKMT2AL3MBTL1RXFP1
Hydrochloric Acid SCHEMBL445155 0.80 KDR (0.79) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL427683 0.79 RXFP1 (0.75) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL3109871 0.79 RXFP1 (0.81) MEN1MAPTKMT2AL3MBTL1RXFP1
Hydrochloric Acid SCHEMBL4405252 0.78 RXFP1 (0.80) MEN1MAPTKMT2AL3MBTL1RXFP1
SCHEMBL427736 0.77 KDR (0.64) MEN1MAPTKMT2AL3MBTL1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 — — EP disclosed
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