SCHEMBL11544867

SCHEMBL11544867

O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.62
PLK4 O00444 1/20 0.50
DYRK3 O43781 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
FGFR1 P11362 1/20 0.50
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
LIMK1 P53667 1/20 0.50
CSNK1G2 P78368 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
PIM3 Q86V86 1/20 0.50
BRSK1 Q8TDC3 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL11545991 0.89 NAMPT (0.61) NAMPTSLC6A7MEN1KMT2APDGFRB
SCHEMBL11542771 0.88 NAMPT (0.48) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11540798 0.88 MAPT (0.51) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11542920 0.87 MAPT (0.57) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11543276 0.86 MEN1 (0.47) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11542231 0.86 SLC6A7 (0.60) NAMPTSLC6A7CYP2C9MAPKAPK2PDGFRB
SCHEMBL11542080 0.86 NAMPT (0.46) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11544535 0.86 NAMPT (0.46) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL11543456 0.86 NAMPT (0.46) NAMPTSLC6A7MAPTMEN1CYP1A2
SCHEMBL7346130 0.85 PDGFRB (0.51) NAMPTPRKD3MAP4K4KDRGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US claimed
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed