SCHEMBL29235848

SCHEMBL29235848

CN1CCN(C2CCN(c3ccc(Nc4nccc(N5CCN(C(=O)Nc6ccc(-c7nnco7)cc6)CC5)n4)cc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.62
▸ FLT3 P36888 6/20 0.62
▸ PARP1 P09874 1/20 0.49
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ JAK3 P52333 7/20 0.43
▸ JAK1 P23458 6/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL29236031 0.94 JAK2 (0.56) JAK2FLT3PARP1JAK3JAK1
SCHEMBL29235922 0.93 JAK2 (0.54) JAK2FLT3PARP1JAK3JAK1
SCHEMBL29235842 0.93 JAK2 (0.60) JAK2FLT3HDAC1HDAC6JAK3
SCHEMBL29235899 0.87 JAK2 (0.47) JAK2FLT3HDAC1HDAC6JAK3
SCHEMBL29235968 0.85 JAK2 (0.85) JAK2FLT3PARP1JAK3JAK1
SCHEMBL29236074 0.82 JAK2 (0.48) JAK2FLT3HDAC1HDAC6JAK3
SCHEMBL29235914 0.81 JAK2 (0.52) JAK2FLT3HDAC1HDAC6JAK3
SCHEMBL30839092 0.81 FLT3 (0.61) JAK2FLT3PARP1CDK4CCND1
SCHEMBL29236023 0.79 JAK2 (0.78) JAK2FLT3JAK3JAK1CDK4
SCHEMBL29235929 0.79 JAK2 (0.84) JAK2FLT3JAK3JAK1

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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