SCHEMBL29113534

SCHEMBL29113534

Cc1nn(C)cc1Nc1ncc(F)c(-n2cc(C)c3cc(C=CC(N)=O)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ FLT4 P35916 1/20 0.37
▸ JAK1 P23458 6/20 0.36
▸ JAK2 O60674 6/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ SYK P43405 4/20 0.35
▸ KDR P35968 2/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL29113545 0.87 LRRK2 (0.36) LRRK2MAPK1JAK1JAK2JAK3
SCHEMBL29113535 0.83 LRRK2 (0.40) LRRK2CYP1A2MAPK1FLT4JAK1
SCHEMBL26980380 0.83 LRRK2 (0.44) LRRK2CYP1A2MAPK1FLT4JAK1
SCHEMBL29929758 0.83 LRRK2 (0.44) LRRK2CYP1A2MAPK1FLT4JAK1
SCHEMBL29929286 0.81 JAK3 (0.52) JAK3
SCHEMBL26979886 0.81 JAK3 (0.52) JAK3
SCHEMBL29113556 0.79 JAK2 (0.46) LRRK2JAK2JAK3SYK
SCHEMBL29929752 0.79 CCNT1 (0.41) LRRK2CYP1A2MAPK1JAK1JAK2
SCHEMBL26980190 0.79 CCNT1 (0.41) LRRK2CYP1A2MAPK1JAK1JAK2
SCHEMBL29113572 0.79 JAK3 (0.38) FLT4JAK1JAK2JAK3HDAC1

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-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
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