SCHEMBL29113546

SCHEMBL29113546

C=C(C(N)=O)c1ccc2c(c1)c(C)cn2-c1nc(Nc2cnn(C)c2C)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.39
▸ SCN2B O60939 6/20 0.36
▸ SCN1B Q07699 6/20 0.36
▸ SCN9A Q15858 6/20 0.36
▸ SCN5A Q14524 5/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ SYK P43405 4/20 0.35
▸ SCN1A P35498 4/20 0.35
▸ KDR P35968 2/20 0.34
▸ JAK3 P52333 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAOB P27338 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
SCHEMBL29113535 0.87 LRRK2 (0.40) LRRK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL29929030 0.83 LRRK2 (0.42) LRRK2MAPK1SYKKDRMAPK3
SCHEMBL26980293 0.83 LRRK2 (0.42) LRRK2MAPK1SYKKDRMAPK3
SCHEMBL29113545 0.83 LRRK2 (0.36) LRRK2SCN2BSCN1BSCN9ASCN5A
SCHEMBL29113541 0.81 JAK3 (0.40) JAK3JAK2JAK1TYK2
SCHEMBL29929431 0.81 EGFR (0.42) JAK3
SCHEMBL26980771 0.81 EGFR (0.42) JAK3
SCHEMBL29929725 0.80 CCNT1 (0.41) LRRK2MAPK1SYKKDRJAK2
SCHEMBL26980444 0.80 CCNT1 (0.41) LRRK2MAPK1SYKKDRJAK2
SCHEMBL29113559 0.79 JAK2 (0.49) SYKJAK3JAK2KCNH2

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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