SCHEMBL28855720

SCHEMBL28855720

CCCN1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.59
JAK1 P23458 3/20 0.59
BTK Q06187 2/20 0.59
TEC P42680 1/20 0.59
TXK P42681 1/20 0.59
BLK P51451 1/20 0.59
BMX P51813 1/20 0.59
ITK Q08881 1/20 0.59
ERBB4 Q15303 1/20 0.59
HPGDS O60760 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55

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
SCHEMBL23408959 0.85 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL23408967 0.85 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL22909510 0.85 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL21333438 0.85 JAK3 (0.66) JAK3JAK1BTKTECTXK
SCHEMBL23221794 0.85 JAK3 (0.66) JAK3JAK1BTKTECTXK
SCHEMBL23619474 0.84 JAK3 (0.56) JAK3JAK1BTKTECTXK
SCHEMBL28855810 0.84 JAK3 (0.64) JAK3JAK1BTKTECTXK
SCHEMBL28855733 0.80 JAK3 (0.73) JAK3JAK1BTKTECTXK
SCHEMBL25068962 0.80 JAK3 (0.61) JAK3JAK1BTKTECTXK
SCHEMBL25068917 0.80 JAK3 (0.61) JAK3JAK1BTKTECTXK

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
CN-115023221-A Stable immediate release tablet and capsule formulations of 1- ((2S,5R) -5- ((7H-pyrrolo [2,3-D ] pyrimidin-4-yl) amino) -2-methylpiperidin-1-yl) prop-2-en-1-one 辉瑞英国研发有限公司 2022-09-06 CN claimed
CN-115023221-A Stable immediate release tablet and capsule formulations of 1- ((2S,5R) -5- ((7H-pyrrolo [2,3-D ] pyrimidin-4-yl) amino) -2-methylpiperidin-1-yl) prop-2-en-1-one 辉瑞英国研发有限公司 2022-09-06 CN disclosed
CN-114727950-A 1- (((2S,3S,4S) -3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl) methoxy) -7-methoxyisoquinoline-6-carboxamide combinations and oral dosage forms 辉瑞大药厂 2022-07-08 CN disclosed