SCHEMBL21390775

SCHEMBL21390775

Cc1nc2ccc(C(C)(C)O)c(OC(F)(F)F)c2n1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.38
JAK2 O60674 5/20 0.38
AURKA O14965 1/20 0.38
PRKCA P17252 1/20 0.38
KDR P35968 1/20 0.38
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
HCAR1 Q9BXC0 2/20 0.36
IDH1 O75874 3/20 0.36
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 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
SCHEMBL21354583 0.80 EGFR (0.35) IDH1
SCHEMBL21390761 0.66 AR (0.43) JAK1JAK2AURKAPRKCAKDR
SCHEMBL21390872 0.66 HCAR1 (0.36) JAK1JAK2AURKAPRKCAKDR
SCHEMBL17033108 0.66 HCAR1 (0.48) JAK1JAK2AURKAPRKCAKDR
SCHEMBL18779199 0.64 EGFR (0.35) CYP2D6
SCHEMBL18779193 0.64 EGFR (0.35) CYP2D6
SCHEMBL21390823 0.64 GAA (0.47) JAK1JAK2AURKAPRKCAKDR
SCHEMBL21391122 0.64 CDK9 (0.51) JAK1JAK2AURKAPRKCAKDR
SCHEMBL21390686 0.64 HCAR1 (0.40) JAK1JAK2AURKAPRKCAKDR
SCHEMBL17586640 0.63 CYP11B2 (0.58) HCAR1ADRB1ADRA2ACYP19A1CYP11B1

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