SCHEMBL27825342

SCHEMBL27825342

[CH2]CCn1ccc2cnc(Nc3ccc(C4CCN(CCF)CC4)cc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.47
▸ STAT6 P42226 9/20 0.46
▸ JAK2 O60674 3/20 0.43
▸ BRD4 O60885 3/20 0.43
▸ MAP4K1 Q92918 4/20 0.41
▸ AURKA O14965 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ MAP4K3 Q8IVH8 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
SCHEMBL3710773 0.90 STAT6 (0.49) JAK3STAT6JAK2BRD4MAP4K1
SCHEMBL27844371 0.88 JAK3 (0.54) JAK3STAT6JAK2BRD4MAP4K1
SCHEMBL3710772 0.86 JAK3 (0.47) JAK3STAT6JAK2BRD4MAP4K1
SCHEMBL1284618 0.82 TBK1 (0.60) JAK3
SCHEMBL3709267 0.78 MAP4K1 (0.52) JAK3STAT6JAK2BRD4MAP4K1
SCHEMBL3709266 0.74 MAP4K1 (0.54) JAK3STAT6JAK2BRD4MAP4K1
SCHEMBL27844369 0.74 STAT6 (0.69) JAK3STAT6JAK2BRD4AURKA
SCHEMBL1284620 0.72 JAK3 (0.42) JAK3STAT6JAK2MAP4K1
SCHEMBL17076534 0.71 SYK (0.73) —
SCHEMBL15163135 0.71 TBK1 (0.56) JAK3STAT6JAK2BRD4MAP4K1

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-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN claimed
CN-102341400-A Pyrrolopyrimidines useful as kinase inhibitors MEDICAL RES COUNCIL TECHNOLOGY 2012-02-01 — — CN disclosed
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