SCHEMBL14712280

SCHEMBL14712280

O=C(NCC(F)(F)F)C1C[C@H](F)CN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
JAK3 P52333 7/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
STK10 O94804 1/20 0.39
ABL1 P00519 1/20 0.39
PRKCB P05771 1/20 0.39
MET P08581 1/20 0.39
TOP2A P11388 1/20 0.39
PRKCA P17252 1/20 0.39
CSNK2A2 P19784 1/20 0.39
JAK1 P23458 1/20 0.39
MARK3 P27448 1/20 0.39
TYK2 P29597 1/20 0.39
ABL2 P42684 1/20 0.39
CDK9 P50750 1/20 0.39
CDK17 Q00537 1/20 0.39
TOP2B Q02880 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL2630210 1.00 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL10037014 1.00 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630208 1.00 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630176 0.92 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630160 0.92 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630123 0.92 CTSS (0.42) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630246 0.91 CTSS (0.40) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630143 0.90 CTSS (0.40) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630146 0.90 CTSS (0.40) CTSSJAK3PLK4JAK2ROCK2
SCHEMBL2630178 0.90 CTSS (0.40) CTSSJAK3PLK4JAK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559694-A2 Azaindoles useful as inhibitors of Janus kinases Vertex Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed