SCHEMBL21390823

SCHEMBL21390823

COc1cccc2nc(C)n(C3CCC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
JAK1 P23458 2/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
PRKCA P17252 1/20 0.41
KDR P35968 1/20 0.41
TNF P01375 3/20 0.40
LITAF Q99732 3/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PKM P14618 1/20 0.40
HCAR1 Q9BXC0 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL12791679 0.78 CDK9 (0.57) GAAALOX15HRH3JAK1AURKA
SCHEMBL21354604 0.72 EGFR (0.40) ALDH1A1GLAMAPK1UBE2NNPSR1
SCHEMBL18250748 0.72 CCR5 (0.58) GAAALOX15KDRCCNT1CDK9
SCHEMBL6245431 0.70 TP53 (0.43) JAK1JAK2TNFLITAFMAPT
SCHEMBL23409153 0.70 JAK1 (0.47) GAAALOX15JAK1JAK2CCNT1
SCHEMBL24458124 0.70 JAK1 (0.47) GAAALOX15JAK1JAK2CCNT1
SCHEMBL21354755 0.70 EGFR (0.39) ALDH1A1GLAMAPK1UBE2NNPSR1
SCHEMBL3448194 0.69 GAA (0.61) GAAALOX15KDRCCNT1CDK9
SCHEMBL18250718 0.68 GAA (0.64) GAAALOX15CCNT1CDK9HCAR1
SCHEMBL21390931 0.68 ALDH1A1 (0.62) GAACCNT1CDK9PKMALDH1A1

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed