SCHEMBL27868319

SCHEMBL27868319

N#CCC(C1CCN(c2ccnc(C[SH](=O)=O)c2)C1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.63
TYRO3 Q06418 3/20 0.63
JAK2 O60674 12/20 0.63
JAK1 P23458 11/20 0.63
JAK3 P52333 4/20 0.63
DAPK3 O43293 2/20 0.63
PAK4 O96013 2/20 0.63
ABL1 P00519 2/20 0.63
RET P07949 2/20 0.63
LTK P29376 2/20 0.63
CSNK1A1 P48729 2/20 0.63
CLK2 P49760 2/20 0.63
TNK2 Q07912 2/20 0.63
ROCK1 Q13464 2/20 0.63
DYRK1A Q13627 2/20 0.63
IKBKE Q14164 2/20 0.63
NTRK3 Q16288 2/20 0.63
NTRK2 Q16620 2/20 0.63
LRRK2 Q5S007 2/20 0.63
TAOK1 Q7L7X3 2/20 0.63

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
SCHEMBL860036 0.86 AXL (0.63) AXLTYRO3JAK2JAK1JAK3
SCHEMBL27868291 0.86 AXL (0.71) AXLTYRO3JAK2JAK1JAK3
SCHEMBL27868315 0.86 AXL (0.78) AXLTYRO3JAK2JAK1JAK3
SCHEMBL859517 0.85 JAK2 (0.62) AXLTYRO3JAK2JAK1JAK3
SCHEMBL27868305 0.85 AXL (0.64) AXLTYRO3JAK2JAK1JAK3
SCHEMBL859895 0.84 AXL (0.61) AXLTYRO3JAK2JAK1JAK3
SCHEMBL859461 0.83 AXL (0.63) AXLTYRO3JAK2JAK1JAK3
SCHEMBL27911592 0.83 JAK2 (0.71) AXLTYRO3JAK2JAK1JAK3
SCHEMBL15934905 0.82 AXL (0.71) AXLTYRO3JAK2JAK1JAK3
SCHEMBL13074738 0.81 AXL (0.77) AXLTYRO3JAK2JAK1JAK3

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-102458581-B 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 HOLDINGS CORP. (US) 2016-03-30 CN claimed
CN-102458581-A 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 CORP 2012-05-16 CN claimed
CN-102458581-B 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 HOLDINGS CORP. (US) 2016-03-30 CN disclosed
CN-102458581-A 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 CORP 2012-05-16 CN disclosed