SCHEMBL8300938

SCHEMBL8300938

O=[N+]([O-])c1cccc(NN(c2cccc([N+](=O)[O-])c2)c2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.46
PRKCA P17252 3/20 0.46
EGFR P00533 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
LCK P06239 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
SRC P12931 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL8308009 0.84 CAMK2D (0.49) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6952361 0.83 PRKCA (0.63) ZAP70PRKCAEGFRPRKD3PRKCG
3-Nitroaniline SCHEMBL8300936 0.78 ABL1 (0.57) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL8306822 0.76 ZAP70 (0.49) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6957800 0.70 ZAP70 (0.66) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6952360 0.68 ZAP70 (0.68) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6952728 0.68 ZAP70 (0.65) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6955195 0.68 ZAP70 (0.67) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL6947468 0.68 CAMK2D (0.72) ZAP70PRKCAEGFRPRKD3PRKCG
SCHEMBL670110 0.66 MAPT (0.74) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4

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