SCHEMBL5145287

SCHEMBL5145287

Nc1c(NCCN2CCNCC2)nn2c3c(ccc12)CCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
LCK P06239 2/20 0.34
KDR P35968 2/20 0.34
TNK2 Q07912 2/20 0.34
KAT2B Q92831 4/20 0.34
KHK P50053 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL5144942 0.92 KAT2B (0.39) CYP3A4KAT2BALDH1A1L3MBTL1TSHR
SCHEMBL5145390 0.91 KAT2B (0.40) KAT2BALDH1A1L3MBTL1IKBKBILK
SCHEMBL5145186 0.87 CYP3A4 (0.42) CYP3A4CYP2D6ALDH1A1ALOX15TSHR
SCHEMBL17365401 0.80 APP (0.32)
SCHEMBL1840005 0.80 KDM4E (0.32) ALDH1A1GAA
SCHEMBL10118566 0.80
SCHEMBL17365403 0.78 TLR8 (0.35) CYP3A4ALDH1A1ALOX15TSHRTLR8
SCHEMBL1838369 0.77 KAT2B (0.35) KAT2BGAA
Hydrochloric Acid SCHEMBL1843938 0.76 KAT2B (0.34) KAT2BGAA
Hydrochloric Acid SCHEMBL1841626 0.76 KAT2B (0.34) KAT2BGAA

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
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP claimed
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP disclosed