SCHEMBL1844920

SCHEMBL1844920

Nc1c(NCCN2CCNCC2)nn2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.44
TNK2 Q07912 5/20 0.44
KDR P35968 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KHK P50053 1/20 0.41
JAK3 P52333 2/20 0.40
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KAT2B Q92831 4/20 0.38

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
SCHEMBL1841548 0.88 KAT2B (0.48) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL1842861 0.87 KAT2B (0.49) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL1842069 0.87 KAT2B (0.47) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL1841847 0.86 KAT2B (0.51) KAT2BSIGMAR1
SCHEMBL1842972 0.85 SMN1; SMN2 (0.49) ALDH1A1ALOX15TSHRKDM4EGAA
SCHEMBL26010421 0.85 KAT2B (0.39) ALDH1A1TSHRKDM4ECYP3A4KAT2B
Hydrochloric Acid SCHEMBL1839969 0.85 KAT2B (0.50) KAT2BSIGMAR1
SCHEMBL10118459 0.85 DRD2 (0.48) KAT2BSIGMAR1
Hydrochloric Acid SCHEMBL1840278 0.84 SMN1; SMN2 (0.48) ALDH1A1ALOX15TSHRKDM4EGAA
SCHEMBL3835753 0.83 KAT2B (0.39) KDM4EGAAHSD17B10CYP3A4CYP2D6

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
EP-1792606-B1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine OREAL (FR) 2011-05-18 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 claimed
EP-1792606-B1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine OREAL (FR) 2011-05-18 EP disclosed
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