SCHEMBL29113559

SCHEMBL29113559

C=C(C(N)=O)c1ccc2c(c1)c(C)cn2-c1nc(Nc2ccc(N3CCOCC3)cc2)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.49
▸ SYK P43405 2/20 0.49
▸ STAT6 P42226 11/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CDK2 P24941 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL30671851 1.00 JAK2 (0.49) JAK2SYKSTAT6FLT3BTK
SCHEMBL26980492 0.85 SYK (0.56) JAK2SYKJAK3NPC1RAB9A
SCHEMBL29113556 0.85 JAK2 (0.46) JAK2SYKSTAT6FLT3BTK
SCHEMBL26979838 0.85 BTK (0.56) JAK2SYKFLT3BTKJAK3
SCHEMBL26977050 0.82 SYK (0.49) JAK2SYKJAK3NPC1RAB9A
SCHEMBL29113535 0.79 LRRK2 (0.40) JAK2SYKJAK3
SCHEMBL29113546 0.79 LRRK2 (0.39) JAK2SYKJAK3KCNH2
SCHEMBL30671844 0.79 JAK2 (0.54) JAK2SYKSTAT6FLT3BTK
SCHEMBL29113541 0.79 JAK3 (0.40) JAK2JAK3
SCHEMBL30931315 0.77 BTK (0.58) JAK2FLT3BTKJAK3

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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