SCHEMBL28700136

SCHEMBL28700136

Cn1c(C2CCN(C(=O)O)C2)c(Br)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.43
▸ JAK2 O60674 9/20 0.41
▸ JAK3 P52333 9/20 0.41
▸ JAK1 P23458 7/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ EGFR P00533 3/20 0.39
▸ SRC P12931 2/20 0.39
▸ TYK2 P29597 1/20 0.36
▸ BTK Q06187 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
SCHEMBL22658709 0.86 SRC (0.52) LRRK2EGFRSRC
SCHEMBL29407628 0.86 SRC (0.52) LRRK2EGFRSRC
SCHEMBL22658959 0.80 LRRK2 (0.41) LRRK2JAK2JAK3JAK1DYRK1A
SCHEMBL28685316 0.80 DYRK1A (0.44) LRRK2JAK2JAK3JAK1DYRK1A
SCHEMBL28693886 0.76 LCK (0.47) EGFRBTK
SCHEMBL22658694 0.76 LRRK2 (0.43) LRRK2JAK2JAK3JAK1DYRK1A
SCHEMBL29407749 0.76 LRRK2 (0.43) LRRK2JAK2JAK3JAK1DYRK1A
SCHEMBL22673414 0.73 EGFR (0.56) JAK2JAK3JAK1EGFRSRC
SCHEMBL28690889 0.72 PRMT5 (0.43) LRRK2JAK2JAK3JAK1EGFR
SCHEMBL22659128 0.72 DYRK1A (0.39) LRRK2JAK2JAK3JAK1DYRK1A

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-114126620-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2022-03-01 — — CN disclosed
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