SCHEMBL21390872

SCHEMBL21390872

Cc1nc2ccc(C3(O)CCC3)c(C(F)(F)F)c2n1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.36
JAK1 P23458 11/20 0.35
JAK2 O60674 5/20 0.35
AURKA O14965 1/20 0.35
PRKCA P17252 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 7/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYK2 P29597 2/20 0.34
CDK9 P50750 2/20 0.34
CCNT1 O60563 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34

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
SCHEMBL21354577 0.79 EGFR (0.36)
SCHEMBL21390870 0.76 JAK1 (0.30) JAK1
SCHEMBL21390761 0.75 AR (0.43) HCAR1JAK1JAK2AURKAPRKCA
SCHEMBL21391122 0.66 CDK9 (0.51) HCAR1JAK1JAK2AURKAPRKCA
SCHEMBL21390775 0.66 JAK1 (0.38) HCAR1JAK1JAK2AURKAPRKCA
SCHEMBL21354724 0.66 EGFR (0.33)
SCHEMBL17033108 0.66 HCAR1 (0.48) HCAR1JAK1JAK2AURKAPRKCA
SCHEMBL17586640 0.65 CYP11B2 (0.58) HCAR1L3MBTL1CDK9CCNT1KDM4E
SCHEMBL21390686 0.64 HCAR1 (0.40) HCAR1JAK1JAK2AURKAPRKCA
SCHEMBL12791679 0.61 CDK9 (0.57) HCAR1JAK1JAK2AURKAPRKCA

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