SCHEMBL22324673

SCHEMBL22324673

CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(Cl)c5)c4c3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 7/20 0.69
▸ MAP3K9 P80192 1/20 0.69
▸ MAPK1 P28482 1/20 0.61
▸ TNIK Q9UKE5 10/20 0.61
▸ MAP4K1 Q92918 1/20 0.54
▸ IGF1R P08069 1/20 0.53

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
SCHEMBL720216 0.86 MAP3K11 (0.82) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL7900013 0.85 MAP3K11 (0.58) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL24535333 0.85 MAP3K11 (0.75) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL22336562 0.84 MAP3K11 (0.82) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL24535576 0.82 MAP3K11 (0.72) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL22336544 0.82 MAP3K11 (1.00) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL22336543 0.81 MAP3K11 (0.79) MAP3K11MAP3K9MAPK1TNIKMAP4K1
SCHEMBL22336909 0.81 MAP3K11 (0.45) MAP3K11MAP3K9MAPK1TNIK
SCHEMBL22336737 0.81 MAP3K11 (0.78) MAP3K11MAP3K9MAPK1TNIKMAP4K1
Trifluoroacetic Acid SCHEMBL22324678 0.80 MAP3K11 (0.69) MAP3K11MAP3K9MAPK1TNIKIGF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
Send feedback