SCHEMBL28988366

SCHEMBL28988366

Cn1cc(-c2nn(C(=O)OC(C)(C)C)c3ccc(-c4c(F)cc(C(=N)CCl)cc4F)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.42
GPR119 Q8TDV5 1/20 0.38
CREBBP Q92793 8/20 0.36
TTK P33981 3/20 0.35
USP30 Q70CQ3 2/20 0.34
RET P07949 2/20 0.34
BRD4 O60885 2/20 0.34
EP300 Q09472 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL19950475 0.86 ALDH1A1 (0.40) MAP2K4CREBBPTTKUSP30RET
SCHEMBL28988367 0.83 MAP4K1 (0.35) MAP2K4GPR119TTKAXLTYRO3
SCHEMBL24148625 0.77 AXL (0.46) MAP2K4GPR119CREBBPTTKUSP30
SCHEMBL19960726 0.76 MAP4K1 (0.40) MAP2K4TTKUSP30GSK3BDYRK1A
SCHEMBL29746563 0.74 MAP4K1 (0.43) MAP2K4CREBBPTTKRETBRD4
SCHEMBL19950375 0.74 MAP4K1 (0.43) MAP2K4CREBBPTTKRETBRD4
SCHEMBL19950487 0.74 MAP4K1 (0.37) MAP2K4TTKGSK3BDYRK1A
SCHEMBL29746558 0.74 MAP4K1 (0.37) MAP2K4TTKGSK3BDYRK1A
SCHEMBL29746725 0.74 MAP4K1 (0.40) MAP2K4CREBBPTTKRETBRD4
SCHEMBL19950639 0.74 MAP4K1 (0.40) MAP2K4CREBBPTTKRETBRD4

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-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed