SCHEMBL8138939

SCHEMBL8138939

c1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.64
PRKD3 O94806 1/20 0.64
EGFR P00533 1/20 0.64
PRKCG P05129 1/20 0.64
PRKCB P05771 1/20 0.64
LCK P06239 1/20 0.64
PRKCA P17252 1/20 0.64
PRKCH P24723 1/20 0.64
PRKCI P41743 1/20 0.64
PRKCE Q02156 1/20 0.64
PRKCQ Q04759 1/20 0.64
PRKCZ Q05513 1/20 0.64
PRKCD Q05655 1/20 0.64
PRKD1 Q15139 1/20 0.64
MYLK4 Q86YV6 3/20 0.60
STK17A Q9UEE5 3/20 0.60
CLK4 Q9HAZ1 1/20 0.60
TBK1 Q9UHD2 1/20 0.60
SYK P43405 1/20 0.53
JAK2 O60674 1/20 0.52

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
SCHEMBL8152774 0.93 ZAP70 (0.62) ZAP70PRKD3EGFRPRKCGPRKCB
Hydrochloric Acid SCHEMBL8154441 0.87 ZAP70 (0.61) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL6956423 0.84 ZAP70 (0.68) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL8146562 0.83 ZAP70 (0.62) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL8148275 0.83 ZAP70 (0.62) ZAP70PRKD3EGFRPRKCGPRKCB
Hydrochloric Acid SCHEMBL8146586 0.83 ZAP70 (0.61) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL6950853 0.83 ZAP70 (0.66) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL6951420 0.83 ZAP70 (0.66) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL6955286 0.83 ZAP70 (0.66) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL6955279 0.82 ZAP70 (0.64) ZAP70PRKD3EGFRPRKCGPRKCB

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
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed