SCHEMBL28626677

SCHEMBL28626677

Nc1ncnn2c([C@@H]3CCCN(C(=O)O)C3)nc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
IGF1R P08069 1/20 0.39
PDE2A O00408 4/20 0.39
PDE3A Q14432 1/20 0.39
PDE3B Q13370 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
SCHEMBL28628197 0.84 TNK2 (0.48) TNK2
SCHEMBL28628199 0.84 TNK2 (0.48) TNK2
SCHEMBL27188431 0.82 TNK2 (0.34) TNK2PDE2APDE3APDE3B
SCHEMBL27188425 0.82 TNK2 (0.34) TNK2PDE2APDE3APDE3B
SCHEMBL27188701 0.81 TNK2 (0.35) TNK2PDE2APDE3APDE3B
SCHEMBL27188702 0.81 TNK2 (0.35) TNK2PDE2APDE3APDE3B
SCHEMBL14488061 0.81 PDE2A (0.45) CSNK2A2CSNK2A1PDE2APDE3APDE3B
SCHEMBL28694583 0.81 TNK2 (0.43) TNK2CSNK2A2CSNK2A1IGF1R
SCHEMBL14488065 0.81 PDE2A (0.45) CSNK2A2CSNK2A1PDE2APDE3APDE3B
SCHEMBL18283348 0.80 TNK2 (0.48) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 CN disclosed
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed
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