SCHEMBL30839092

SCHEMBL30839092

CN1CCN(C2CCN(c3ccc(Nc4nccc(N5CCN(C(N)=O)CC5)n4)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.61
▸ JAK2 O60674 6/20 0.61
▸ PARP1 P09874 1/20 0.59
▸ SYK P43405 5/20 0.52
▸ CDK4 P11802 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.49
▸ RET P07949 3/20 0.49
▸ ROS1 P08922 3/20 0.49
▸ EML4 Q9HC35 3/20 0.49
▸ ALK Q9UM73 3/20 0.49
▸ EGFR P00533 2/20 0.48
▸ HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL30839091 0.93 JAK2 (0.57) FLT3JAK2PARP1SYK
SCHEMBL30839100 0.92 JAK2 (0.56) FLT3JAK2PARP1SYKMKNK1
SCHEMBL30839099 0.90 JAK2 (0.51) FLT3JAK2PARP1SYKCDK4
SCHEMBL30839088 0.90 JAK2 (0.64) FLT3JAK2PARP1SYK
SCHEMBL29235968 0.86 JAK2 (0.85) FLT3JAK2PARP1CDK4CCND1
SCHEMBL28437339 0.81 JAK2 (0.75) FLT3JAK2SYK
SCHEMBL29669890 0.81 JAK2 (0.75) FLT3JAK2SYK
SCHEMBL28322770 0.81 JAK2 (0.71) FLT3JAK2SYKCDK4CDK6
SCHEMBL29235848 0.81 JAK2 (0.62) FLT3JAK2PARP1CDK4CCND1
SCHEMBL29236023 0.79 JAK2 (0.78) FLT3JAK2CDK4CCND1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005609-B 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2025-06-17 — — CN claimed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN claimed
CN-118005609-B 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2025-06-17 — — CN disclosed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN disclosed
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