SCHEMBL8306459

SCHEMBL8306459

FC(F)(F)Oc1cccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1.Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.56
PRKCA P17252 3/20 0.56
EGFR P00533 2/20 0.56
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
LCK P06239 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCZ Q05513 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKD1 Q15139 1/20 0.56
PIM1 P11309 1/20 0.51
MYLK4 Q86YV6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
STK17A Q9UEE5 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
CAMK2D Q13557 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
SCHEMBL6956430 0.95 ZAP70 (0.61) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6955679 0.88 PRKCA (0.63) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6952344 0.84 ZAP70 (0.62) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6947682 0.84 ZAP70 (0.72) ZAP70PRKCAEGFRPRKD3PRKCG
3-Chloroaniline SCHEMBL8308008 0.83 CAMK2D (0.68) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6957800 0.82 ZAP70 (0.66) ZAP70PRKCAEGFRPRKD3PRKCG
3-Nitroaniline SCHEMBL8300936 0.80 ABL1 (0.57) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6947468 0.79 CAMK2D (0.72) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6952728 0.79 ZAP70 (0.65) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6955195 0.79 ZAP70 (0.67) ZAP70PRKCAEGFRPRKD3PRKCG

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-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 WO disclosed