SCHEMBL22336909

SCHEMBL22336909

CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)c(-c3cccc(Cl)c3)cn4SI)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 3/20 0.45
▸ MAP3K9 P80192 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ TNIK Q9UKE5 4/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TBK1 Q9UHD2 2/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ IDO2 Q6ZQW0 1/20 0.38
▸ RET P07949 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.37

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
SCHEMBL20634236 0.85 MAP3K11 (0.58) MAP3K11MAP3K9MAPK1TNIKKCNH2
SCHEMBL22324681 0.83 PTPN11 (0.47) MAP3K11MAP3K9MAPK1ADORA2ATNIK
SCHEMBL22324673 0.81 MAP3K11 (0.69) MAP3K11MAP3K9MAPK1TNIK
SCHEMBL25153562 0.76 CHEK1 (0.39) —
SCHEMBL20634857 0.75 MAP3K11 (0.49) MAP3K11MAP3K9MAPK1TNIKKCNH2
SCHEMBL3155717 0.72 MEN1 (0.58) ADORA2AVEGFAEGLN1TP53THRB
SCHEMBL32667348 0.72 VEGFA (0.64) VEGFAEGLN1TP53THRBSMN1; SMN2
SCHEMBL11932534 0.72 FAAH (0.57) VEGFAEGLN1TP53THRB
SCHEMBL29914660 0.70 HRH3 (0.50) TBK1VEGFAEGLN1SUCNR1
SCHEMBL22971783 0.70 MAP3K11 (0.51) MAP3K11MAP3K9MAPK1TNIKKCNH2

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 2 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
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