SCHEMBL29113535

SCHEMBL29113535

C=C(C(N)=O)c1ccc2c(c1)c(C)cn2-c1nc(Nc2cn(C)nc2C)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ JAK1 P23458 6/20 0.38
▸ JAK2 O60674 6/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ FLT4 P35916 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ SCN2B O60939 1/20 0.35
▸ SCN1B Q07699 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ MAPK3 P27361 1/20 0.34
▸ PTK6 Q13882 1/20 0.34

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
SCHEMBL29113546 0.87 LRRK2 (0.39) LRRK2JAK1JAK2MAPK1JAK3
SCHEMBL29929758 0.83 LRRK2 (0.44) LRRK2CYP1A2JAK1JAK2MAPK1
SCHEMBL26980380 0.83 LRRK2 (0.44) LRRK2CYP1A2JAK1JAK2MAPK1
SCHEMBL29113534 0.83 LRRK2 (0.39) LRRK2CYP1A2JAK1JAK2MAPK1
SCHEMBL26979886 0.81 JAK3 (0.52) JAK3MAPK3
SCHEMBL29929286 0.81 JAK3 (0.52) JAK3MAPK3
SCHEMBL29929752 0.80 CCNT1 (0.41) LRRK2CYP1A2JAK1JAK2MAPK1
SCHEMBL26980190 0.80 CCNT1 (0.41) LRRK2CYP1A2JAK1JAK2MAPK1
SCHEMBL29113559 0.79 JAK2 (0.49) JAK2JAK3SYK
SCHEMBL30671851 0.79 JAK2 (0.49) JAK2JAK3SYK

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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