SCHEMBL15380995

SCHEMBL15380995

O=C(NCC(F)(F)F)C(Nc1ccnc(-c2c[nH]c3ncncc23)n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.49
JAK2 O60674 4/20 0.49
JAK1 P23458 2/20 0.49
PLK4 O00444 1/20 0.49
ROCK2 O75116 1/20 0.49
STK10 O94804 1/20 0.49
ABL1 P00519 1/20 0.49
PRKCB P05771 1/20 0.49
MET P08581 1/20 0.49
TOP2A P11388 1/20 0.49
PRKCA P17252 1/20 0.49
CSNK2A2 P19784 1/20 0.49
MARK3 P27448 1/20 0.49
TYK2 P29597 1/20 0.49
ABL2 P42684 1/20 0.49
CDK9 P50750 1/20 0.49
CDK17 Q00537 1/20 0.49
TOP2B Q02880 1/20 0.49
PRKCD Q05655 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL5074758 0.86 JAK3 (0.51) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL5074742 0.86 JAK3 (0.51) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL5634991 0.86 JAK3 (0.51) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL14236363 0.85 JAK3 (0.49) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL14236481 0.84 JAK3 (0.52) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL14236346 0.84 JAK3 (0.50) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL14237944 0.83 JAK3 (0.43) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL5077865 0.83 JAK3 (0.49) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL5077860 0.83 JAK3 (0.49) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL14236485 0.83 JAK3 (0.43) JAK3JAK2JAK1PLK4ROCK2

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
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed