SCHEMBL3710772

SCHEMBL3710772

NC(=O)CCn1ccc2cnc(Nc3ccc(C4CCN(CCF)CC4)cc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.47
▸ STAT6 P42226 4/20 0.47
▸ JAK2 O60674 5/20 0.45
▸ PTK2 Q05397 10/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ TTK P33981 1/20 0.43
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL3709266 0.89 MAP4K1 (0.54) JAK3STAT6JAK2PTK2MAP4K1
SCHEMBL3710773 0.87 STAT6 (0.49) JAK3STAT6JAK2MAP4K1BRD4
SCHEMBL27825342 0.86 JAK3 (0.47) JAK3STAT6JAK2MAP4K1BRD4
SCHEMBL1284618 0.83 TBK1 (0.60) JAK3
SCHEMBL1284620 0.79 JAK3 (0.42) JAK3STAT6JAK2PTK2MAP4K1
SCHEMBL3709267 0.77 MAP4K1 (0.52) JAK3STAT6JAK2MAP4K1TTK
SCHEMBL15163241 0.76 STAT6 (0.64) JAK3STAT6JAK2BRD4
SCHEMBL3790567 0.76 STAT6 (0.65) JAK3STAT6
SCHEMBL17076534 0.75 SYK (0.73) —
SCHEMBL27844371 0.75 JAK3 (0.54) JAK3STAT6JAK2MAP4K1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 — — EP claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 — — EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 — — WO disclosed
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