3-Nitroaniline

3-Nitroaniline

SCHEMBL8300936

Nc1cccc([N+](=O)[O-])c1.O=[N+]([O-])c1cccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.57
BCR P11274 5/20 0.57
PRKCA P17252 4/20 0.57
SRC P12931 4/20 0.57
EGFR P00533 3/20 0.57
ZAP70 P43403 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
CDK2 P24941 4/20 0.50
CDK4 P11802 4/20 0.50
IKBKB O14920 3/20 0.50

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
SCHEMBL6952361 0.95 PRKCA (0.63) ABL1BCRPRKCASRCEGFR
3-Chloroaniline SCHEMBL8308008 0.84 CAMK2D (0.68) ABL1BCRPRKCASRCEGFR
SCHEMBL6957800 0.81 ZAP70 (0.66) PRKCAEGFRZAP70PRKD3PRKCG
SCHEMBL8306459 0.80 ZAP70 (0.56) ABL1BCRPRKCASRCEGFR
SCHEMBL6947468 0.80 CAMK2D (0.72) ABL1BCRPRKCAEGFRZAP70
SCHEMBL6955195 0.80 ZAP70 (0.67) ABL1BCRPRKCAEGFRZAP70
SCHEMBL6952728 0.80 ZAP70 (0.65) PRKCAEGFRZAP70PRKD3PRKCG
SCHEMBL4734622 0.80 ABL1 (0.76) ABL1BCRPRKCASRCEGFR
SCHEMBL6952360 0.80 ZAP70 (0.68) ABL1PRKCAEGFRZAP70PRKD3
SCHEMBL8300938 0.78 ZAP70 (0.46) ABL1BCRPRKCASRCEGFR

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