SCHEMBL29236074

SCHEMBL29236074

Cc1cnc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)nc1N1CCN(C(=O)Nc2ccc(-c3nnco3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.48
▸ FLT3 P36888 3/20 0.48
▸ JAK3 P52333 7/20 0.46
▸ JAK1 P23458 6/20 0.46
▸ TYK2 P29597 1/20 0.44
▸ FGFR4 P22455 2/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK6 Q00534 2/20 0.40
▸ SYK P43405 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
SCHEMBL29235914 0.96 JAK2 (0.52) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29235899 0.95 JAK2 (0.47) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29235726 0.94 JAK2 (0.46) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29236031 0.86 JAK2 (0.56) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29235907 0.85 JAK2 (0.64) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29235925 0.84 JAK2 (0.63) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29236038 0.83 JAK2 (0.43) JAK2JAK3JAK1TYK2FGFR1
SCHEMBL29235848 0.82 JAK2 (0.62) JAK2FLT3JAK3JAK1CDK4
SCHEMBL29235842 0.82 JAK2 (0.60) JAK2FLT3JAK3JAK1TYK2
SCHEMBL29236036 0.81 JAK2 (0.70) JAK2FLT3JAK3JAK1TYK2

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
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN claimed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN disclosed
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