SCHEMBL860796

SCHEMBL860796

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCN(c5ccc6c(n5)[S+]([O-])CC6)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.39
JAK2 O60674 8/20 0.37
JAK1 P23458 5/20 0.37
JAK3 P52333 3/20 0.35
DAPK3 O43293 2/20 0.35
PAK4 O96013 2/20 0.35
ABL1 P00519 2/20 0.35
RET P07949 2/20 0.35
LTK P29376 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CLK2 P49760 2/20 0.35
TNK2 Q07912 2/20 0.35
ROCK1 Q13464 2/20 0.35
DYRK1A Q13627 2/20 0.35
IKBKE Q14164 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
LRRK2 Q5S007 2/20 0.35

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
SCHEMBL859410 0.95 AXL (0.45) AXLTYRO3MERTKJAK2JAK1
SCHEMBL860398 0.89 AXL (0.44) AXLTYRO3MERTKJAK2JAK1
SCHEMBL100828 0.85 JAK2 (0.47) AXLTYRO3MERTKJAK2JAK1
SCHEMBL13058339 0.85 JAK2 (0.47) AXLTYRO3MERTKJAK2JAK1
SCHEMBL859773 0.85 JAK2 (0.47) AXLTYRO3MERTKJAK2JAK1
SCHEMBL3751971 0.83 AXL (0.47) AXLTYRO3MERTKJAK2JAK1
SCHEMBL860504 0.82 AXL (0.48) AXLTYRO3MERTKJAK2JAK1
SCHEMBL859489 0.82 JAK2 (0.42) AXLTYRO3MERTKJAK2JAK1
SCHEMBL3762319 0.81 AXL (0.56) AXLTYRO3MERTKJAK2JAK1
SCHEMBL13074729 0.81 AXL (0.56) AXLTYRO3MERTKJAK2JAK1

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
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed