SCHEMBL29537447

SCHEMBL29537447

Cn1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(Nc3cc(NC(=O)OC(C)(C)C)ncc3F)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ SYK P43405 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ MERTK Q12866 5/20 0.43
▸ CTSC P53634 2/20 0.43
▸ DDR2 Q16832 6/20 0.42
▸ TYRO3 Q06418 5/20 0.41
▸ AXL P30530 3/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40

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
SCHEMBL29250603 1.00 GSK3B (0.47) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL24392985 0.88 JAK3 (0.50) KDRAURKBMERTKCTSCDDR2
SCHEMBL29537886 0.85 SYK (0.43) SYKKDRAURKBMERTKDDR2
SCHEMBL29537619 0.85 MERTK (0.45) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL29537654 0.83 LRRK2 (0.47) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL29250735 0.83 LRRK2 (0.47) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL29250586 0.81 MERTK (0.44) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL29537335 0.81 MERTK (0.44) GSK3BDYRK1ASYKKDRAURKB
SCHEMBL24393252 0.80 JAK3 (0.45) SYKMERTKTYRO3AXLJAK2
SCHEMBL24393097 0.79 DDR2 (0.47) KDRAURKBMERTKDDR2TYRO3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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