SCHEMBL14712339

SCHEMBL14712339

CCNc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.44
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CDK9 P50750 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
PLK4 O00444 1/20 0.39
ROCK2 O75116 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
SCHEMBL14327614 0.89 CLK4 (0.46) JAK2JAK3CYP3A4CYP1A2CYP2C9
SCHEMBL2633664 0.86 JAK2 (0.52) JAK2JAK3CYP3A4CYP1A2CYP2C19
SCHEMBL8941812 0.85 CLK4 (0.53) JAK2JAK3CYP3A4CYP1A2CYP2C9
SCHEMBL14327593 0.84 JAK2 (0.52) JAK2JAK3CYP3A4CYP2D6CLK4
SCHEMBL2630148 0.81 JAK3 (0.49) JAK2JAK3CYP3A4CDK9CDK2
SCHEMBL14465248 0.81 CYP1A2 (0.44) JAK2JAK3CYP3A4CYP1A2CYP2C9
SCHEMBL2630395 0.81 JAK3 (0.45) JAK2JAK3CDK9PLK4ROCK2
SCHEMBL2630273 0.80 JAK3 (0.61) JAK2JAK3CYP3A4CDK9PLK4
SCHEMBL2630105 0.79 JAK3 (0.40) JAK2JAK3CDK9PLK4ROCK2
SCHEMBL10037012 0.79 JAK3 (0.40) JAK2JAK3CDK9PLK4ROCK2

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