SCHEMBL28645356

SCHEMBL28645356

CC(C)(C)OC(=O)N1CC=C(c2ccc3cnc(N)nn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.46
GRM5 P41594 11/20 0.46
PDK4 Q16654 1/20 0.45
BTK Q06187 1/20 0.44
TNK2 Q07912 2/20 0.43
CYP11B2 P19099 1/20 0.43
NAMPT P43490 1/20 0.43
ATR Q13535 2/20 0.42

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
SCHEMBL21245894 0.79 CYP11B2 (0.56) GRM1GRM5PDK4BTKTNK2
SCHEMBL31479190 0.78 GRM1 (0.48) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL60338 0.78 GRM1 (0.46) GRM1GRM5PDK4BTKTNK2
SCHEMBL522295 0.77 ALK (0.56)
SCHEMBL5081066 0.77 TNK2 (0.46) GRM1GRM5PDK4BTKTNK2
SCHEMBL31479575 0.75 GRM1 (0.52) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL27167704 0.74 GRM1 (0.53) GRM1GRM5PDK4BTKTNK2
SCHEMBL29803742 0.74 NAMPT (0.54) GRM1GRM5PDK4BTKTNK2
SCHEMBL30198712 0.74 GRM1 (0.55) GRM1GRM5PDK4BTKTNK2
SCHEMBL13096687 0.74 GRM1 (0.55) GRM1GRM5PDK4BTKTNK2

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
CN-113493439-A Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2021-10-12 CN disclosed
CN-113336760-A Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2021-09-03 CN disclosed