SCHEMBL28645594

SCHEMBL28645594

Cc1cccc(F)c1C1=Cc2c(-c3ccc(N4CCN(C)CC4)nc3)cnc(N)c2CC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.42
ATR Q13535 2/20 0.42
MET P08581 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
TDO2 P48775 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MAP4K1 Q92918 3/20 0.38
CNR2 P34972 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FYN P06241 3/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL28631971 0.75 MAP4K1 (0.51) TNKSATRTDO2MAP4K1
SCHEMBL29929741 0.75 MAP4K1 (0.51) TNKSATRTDO2MAP4K1
SCHEMBL28645595 0.75 TNKS (0.41) TNKSATRMETBRD4CREBBP
SCHEMBL28642686 0.74 TDO2 (0.44) TNKSATRMETTDO2BACE1
SCHEMBL29929921 0.74 TDO2 (0.44) TNKSATRMETTDO2BACE1
SCHEMBL19951649 0.69 TNKS (0.53) TNKSATRBRD4CREBBPTDO2
SCHEMBL3241755 0.69 CNR2 (0.56) TNKSATRMETBRD4CREBBP
SCHEMBL28642628 0.69 MAP4K1 (0.44) TNKSATRMETTDO2BACE1
SCHEMBL10094621 0.68 CYP1A2 (0.57) TNKSMETBRD4CREBBPTDO2
SCHEMBL28927880 0.67 MAP4K1 (0.49) TNKSTDO2MAP4K1

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
CN-113336747-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2021-09-03 CN disclosed